 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_M11_augccpVDZ.in
 Output=21_phenylethanol_conformer02_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-251193.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    251213.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer02_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Thu Aug 12 21:02:31 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.79D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:02:33 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:02:34 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.890564422575    
 DIIS: error= 3.26D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.890564422575     IErMin= 1 ErrMin= 3.26D-03
 ErrMax= 3.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.26D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.403 Goal=   None    Shift=    0.000
 GapD=    0.403 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.55D-02 MaxDP=4.48D+00              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.07D-02    CP:  1.88D+00
 E= -385.900716710306     Delta-E=       -0.010152287731 Rises=F Damp=F
 DIIS: error= 6.00D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.900716710306     IErMin= 2 ErrMin= 6.00D-04
 ErrMax= 6.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-04 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.00D-03
 Coeff-Com: -0.338D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.336D-01 0.103D+01
 Gap=     0.331 Goal=   None    Shift=    0.000
 RMSDP=1.55D-02 MaxDP=9.82D-01 DE=-1.02D-02 OVMax= 5.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.88D-03    CP:  2.06D+00  1.20D+00
 E= -385.900979671019     Delta-E=       -0.000262960713 Rises=F Damp=F
 DIIS: error= 5.01D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.900979671019     IErMin= 3 ErrMin= 5.01D-04
 ErrMax= 5.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-04 BMatP= 3.58D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.01D-03
 Coeff-Com: -0.477D-01 0.498D+00 0.550D+00
 Coeff-En:   0.000D+00 0.746D-02 0.993D+00
 Coeff:     -0.474D-01 0.495D+00 0.552D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=1.52D-03 MaxDP=9.35D-02 DE=-2.63D-04 OVMax= 3.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.09D-04    CP:  2.08D+00  1.22D+00  1.10D+00
 E= -385.901171621612     Delta-E=       -0.000191950593 Rises=F Damp=F
 DIIS: error= 6.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.901171621612     IErMin= 4 ErrMin= 6.67D-05
 ErrMax= 6.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-06 BMatP= 2.78D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-02-0.451D-01 0.689D-01 0.978D+00
 Coeff:     -0.193D-02-0.451D-01 0.689D-01 0.978D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=5.26D-04 MaxDP=2.84D-02 DE=-1.92D-04 OVMax= 8.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.55D-04    CP:  2.09D+00  1.22D+00  1.16D+00  1.35D+00
 E= -385.901179442109     Delta-E=       -0.000007820497 Rises=F Damp=F
 DIIS: error= 3.99D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.901179442109     IErMin= 5 ErrMin= 3.99D-05
 ErrMax= 3.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-07 BMatP= 6.00D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-02-0.498D-01-0.227D-01 0.297D+00 0.773D+00
 Coeff:      0.286D-02-0.498D-01-0.227D-01 0.297D+00 0.773D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=7.21D-05 MaxDP=2.02D-03 DE=-7.82D-06 OVMax= 2.71D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.54D-05    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.29D+00
 E= -385.901180381610     Delta-E=       -0.000000939501 Rises=F Damp=F
 DIIS: error= 8.88D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.901180381610     IErMin= 6 ErrMin= 8.88D-06
 ErrMax= 8.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.15D-08 BMatP= 7.62D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.896D-03-0.830D-02-0.135D-01-0.133D-01 0.208D+00 0.826D+00
 Coeff:      0.896D-03-0.830D-02-0.135D-01-0.133D-01 0.208D+00 0.826D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=2.33D-05 MaxDP=1.41D-03 DE=-9.40D-07 OVMax= 1.35D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.11D-06    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.33D+00
                    CP:  8.99D-01
 E= -385.901180491889     Delta-E=       -0.000000110279 Rises=F Damp=F
 DIIS: error= 3.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.901180491889     IErMin= 7 ErrMin= 3.22D-06
 ErrMax= 3.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-08 BMatP= 7.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05 0.288D-02-0.223D-02-0.390D-01-0.255D-01 0.277D+00
 Coeff-Com:  0.787D+00
 Coeff:      0.122D-05 0.288D-02-0.223D-02-0.390D-01-0.255D-01 0.277D+00
 Coeff:      0.787D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=9.95D-06 MaxDP=7.38D-04 DE=-1.10D-07 OVMax= 4.99D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.05D-06    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.50D-01  1.04D+00
 E= -385.901180509127     Delta-E=       -0.000000017238 Rises=F Damp=F
 DIIS: error= 1.09D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.901180509127     IErMin= 8 ErrMin= 1.09D-06
 ErrMax= 1.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-09 BMatP= 1.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-03 0.197D-02 0.112D-02-0.108D-01-0.367D-01-0.234D-01
 Coeff-Com:  0.245D+00 0.823D+00
 Coeff:     -0.119D-03 0.197D-02 0.112D-02-0.108D-01-0.367D-01-0.234D-01
 Coeff:      0.245D+00 0.823D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=1.44D-04 DE=-1.72D-08 OVMax= 1.82D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.51D-06    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.36D+00
                    CP:  9.58D-01  1.10D+00  1.13D+00
 E= -385.901180511215     Delta-E=       -0.000000002088 Rises=F Damp=F
 DIIS: error= 2.98D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.901180511215     IErMin= 9 ErrMin= 2.98D-07
 ErrMax= 2.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-11 BMatP= 1.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.992D-05-0.339D-04 0.279D-03 0.192D-02-0.170D-02-0.244D-01
 Coeff-Com: -0.365D-01 0.921D-01 0.968D+00
 Coeff:     -0.992D-05-0.339D-04 0.279D-03 0.192D-02-0.170D-02-0.244D-01
 Coeff:     -0.365D-01 0.921D-01 0.968D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=2.26D-06 MaxDP=1.31D-04 DE=-2.09D-09 OVMax= 5.79D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.47D-07    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.55D-01  1.11D+00  1.22D+00  1.15D+00
 E= -385.901180511379     Delta-E=       -0.000000000164 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.901180511379     IErMin=10 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-11 BMatP= 5.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.900D-05-0.217D-03-0.228D-04 0.187D-02 0.335D-02-0.589D-02
 Coeff-Com: -0.379D-01-0.559D-01 0.323D+00 0.771D+00
 Coeff:      0.900D-05-0.217D-03-0.228D-04 0.187D-02 0.335D-02-0.589D-02
 Coeff:     -0.379D-01-0.559D-01 0.323D+00 0.771D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=6.14D-07 MaxDP=3.72D-05 DE=-1.64D-10 OVMax= 2.59D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.54D-01  1.11D+00  1.24D+00  1.22D+00  1.27D+00
 E= -385.901180511431     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 7.82D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.901180511431     IErMin=11 ErrMin= 7.82D-08
 ErrMax= 7.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-12 BMatP= 1.14D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-05-0.811D-05-0.402D-04-0.127D-03 0.297D-03 0.277D-02
 Coeff-Com:  0.337D-02-0.148D-01-0.104D+00 0.373D-01 0.108D+01
 Coeff:      0.170D-05-0.811D-05-0.402D-04-0.127D-03 0.297D-03 0.277D-02
 Coeff:      0.337D-02-0.148D-01-0.104D+00 0.373D-01 0.108D+01
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=5.99D-06 DE=-5.25D-11 OVMax= 1.85D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.43D-08    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.54D-01  1.11D+00  1.24D+00  1.24D+00  1.46D+00
                    CP:  1.39D+00
 E= -385.901180511432     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.99D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.901180511432     IErMin=12 ErrMin= 2.99D-08
 ErrMax= 2.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-13 BMatP= 1.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-05 0.367D-04-0.797D-05-0.374D-03-0.536D-03 0.188D-02
 Coeff-Com:  0.776D-02 0.562D-02-0.887D-01-0.131D+00 0.316D+00 0.889D+00
 Coeff:     -0.115D-05 0.367D-04-0.797D-05-0.374D-03-0.536D-03 0.188D-02
 Coeff:      0.776D-02 0.562D-02-0.887D-01-0.131D+00 0.316D+00 0.889D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=6.82D-08 MaxDP=3.05D-06 DE=-1.02D-12 OVMax= 9.71D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.55D-01  1.11D+00  1.24D+00  1.25D+00  1.54D+00
                    CP:  1.65D+00  1.37D+00
 E= -385.901180511391     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -385.901180511432     IErMin=13 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.98D-14 BMatP= 3.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.741D-06 0.135D-04 0.756D-05-0.891D-04-0.237D-03-0.469D-04
 Coeff-Com:  0.162D-02 0.537D-02-0.459D-02-0.497D-01-0.141D+00 0.247D+00
 Coeff-Com:  0.942D+00
 Coeff:     -0.741D-06 0.135D-04 0.756D-05-0.891D-04-0.237D-03-0.469D-04
 Coeff:      0.162D-02 0.537D-02-0.459D-02-0.497D-01-0.141D+00 0.247D+00
 Coeff:      0.942D+00
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=3.39D-08 MaxDP=1.61D-06 DE= 4.12D-11 OVMax= 4.76D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.21D-09    CP:  2.09D+00  1.22D+00  1.17D+00  1.37D+00  1.35D+00
                    CP:  9.55D-01  1.11D+00  1.24D+00  1.25D+00  1.57D+00
                    CP:  1.75D+00  1.58D+00  1.41D+00
 E= -385.901180511393     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.39D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -385.901180511432     IErMin=14 ErrMin= 3.39D-09
 ErrMax= 3.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.23D-15 BMatP= 5.98D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-07-0.312D-05 0.281D-05 0.384D-04 0.426D-04-0.288D-03
 Coeff-Com: -0.870D-03 0.179D-03 0.124D-01 0.126D-01-0.636D-01-0.110D+00
 Coeff-Com:  0.149D+00 0.100D+01
 Coeff:      0.416D-07-0.312D-05 0.281D-05 0.384D-04 0.426D-04-0.288D-03
 Coeff:     -0.870D-03 0.179D-03 0.124D-01 0.126D-01-0.636D-01-0.110D+00
 Coeff:      0.149D+00 0.100D+01
 Gap=     0.332 Goal=   None    Shift=    0.000
 RMSDP=9.86D-09 MaxDP=3.02D-07 DE=-1.59D-12 OVMax= 1.38D-07

 SCF Done:  E(RM11) =  -385.901180511     A.U. after   14 cycles
            NFock= 14  Conv=0.99D-08     -V/T= 2.0065
 KE= 3.834130688694D+02 PE=-1.747900171684D+03 EE= 5.532257785098D+02
 Leave Link  502 at Thu Aug 12 21:05:36 2021, MaxMem=  5368709120 cpu:            1451.7 elap:             182.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.14816851D+03

 Leave Link  801 at Thu Aug 12 21:05:36 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.71D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 1.86D-01 7.00D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 2.80D-02 4.81D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.50D-03 1.21D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 1.63D-04 2.04D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 7.88D-06 3.83D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 3.52D-07 1.17D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.09D-08 2.03D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.41D-10 2.31D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 4.40D-12 3.00D-07.
      8 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 9.91D-14 3.97D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 5.86D-15 8.92D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128753D+03
      2  0.154640D+01  0.107403D+03
      3  0.206168D+01  0.528632D+01  0.719779D+02
 Isotropic polarizability for W=    0.085645      102.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.976201D+02  0.575456D+01  0.713415D+01
      2  -0.440102D+02 -0.150855D+02 -0.130510D+02
      3  -0.536099D+02  0.933098D+01  0.591689D+01
      4  -0.280383D+02  0.737540D+02  0.210422D+02
      5   0.273726D+02  0.225277D+02 -0.340810D+01
      6   0.811328D+01  0.103491D+02 -0.162279D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.785363D+00  0.654187D+00  0.758163D+01
      2   0.962699D+01  0.887017D+01  0.326295D+00
      3  -0.691561D+01 -0.410577D+02 -0.839852D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.148544D+01  0.234001D+02  0.255589D+02
      2  -0.202385D+02  0.129289D+02  0.502018D+02
      3  -0.337929D+02 -0.117764D+03 -0.144144D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.607188D+00 -0.217509D+01 -0.119575D+01
      2  -0.217509D+01 -0.135971D+01  0.173756D+01
      3  -0.119575D+01  0.173756D+01  0.438812D+00
 OR G Eigenvalues:    -3.0081    -0.6643     3.3586  Iso=     0.1046
 Eigenvectors:
   (1)   0.422407   0.859806  -0.286889
   (2)   0.633689  -0.053825   0.771713
   (3)   0.648082  -0.507775  -0.567586
 w=    0.085645 a.u., Optical Rotation Beta=      0.1046 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       40.60 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.69D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.97D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.73D-02 3.23D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.47D-03 6.19D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.98D-05 7.00D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.97D-07 7.39D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.72D-09 7.16D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.59D-11 7.16D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 4.36D-13 6.45D-08.
     16 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 5.96D-15 9.71D-09.
      3 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 3.70D-16 3.60D-09.
      3 vectors produced by pass 10 Test12= 2.42D-14 2.78D-09 XBig12= 5.90D-16 5.22D-09.
      3 vectors produced by pass 11 Test12= 2.42D-14 2.78D-09 XBig12= 3.63D-16 3.56D-09.
      3 vectors produced by pass 12 Test12= 2.42D-14 2.78D-09 XBig12= 7.78D-16 5.78D-09.
      1 vectors produced by pass 13 Test12= 2.42D-14 2.78D-09 XBig12= 3.68D-16 3.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   269 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.48D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.48D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128753D+03  0.154640D+01  0.206168D+01
      2   0.154640D+01  0.107403D+03  0.528632D+01
      3   0.206168D+01  0.528632D+01  0.719779D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.785363D+00  0.654187D+00  0.758163D+01
      2   0.962699D+01  0.887017D+01  0.326295D+00
      3  -0.691561D+01 -0.410577D+02 -0.839852D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.976201D+02  0.575456D+01  0.713415D+01
      2  -0.440102D+02 -0.150855D+02 -0.130510D+02
      3  -0.536099D+02  0.933098D+01  0.591689D+01
      4  -0.280383D+02  0.737540D+02  0.210422D+02
      5   0.273726D+02  0.225277D+02 -0.340810D+01
      6   0.811328D+01  0.103491D+02 -0.162279D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.275219D+01  0.246095D+01 -0.692639D+00  0.937104D+00 -0.237786D+01
      2   0.246095D+01 -0.134280D+01  0.958147D+00 -0.237786D+01  0.267470D+01
      3  -0.692639D+00  0.958147D+00  0.174829D+00  0.121298D+01 -0.218357D+01
                 6             7             8             9            10 
      1   0.121298D+01 -0.165721D+01  0.138999D+01 -0.546443D+00  0.304504D+01
      2  -0.218357D+01  0.138999D+01 -0.269014D+01 -0.636264D+00  0.166230D+01
      3  -0.173947D+01 -0.546443D+00 -0.636264D+00 -0.465973D+01 -0.715441D-01
                11            12            13            14            15 
      1   0.166230D+01 -0.715441D-01  0.636361D+01  0.398348D+01 -0.127127D+01
      2   0.169508D+01 -0.101982D+01  0.398348D+01  0.177309D+00  0.519619D+00
      3  -0.101982D+01  0.135747D+01 -0.127127D+01  0.519619D+00  0.474912D+01
                16            17            18            19            20 
      1  -0.662095D+00 -0.146455D+01  0.410506D+01 -0.624049D+00  0.410468D+00
      2  -0.146455D+01 -0.553713D+00  0.342722D+01  0.410468D+00 -0.460849D+00
      3   0.410506D+01  0.342722D+01  0.544939D+01  0.364851D+00 -0.228944D+00
                21            22            23            24            25 
      1   0.364851D+00  0.105797D+01 -0.767907D+00 -0.455711D+00  0.183198D+01
      2  -0.228944D+00 -0.767907D+00  0.218409D+01  0.107367D+01 -0.102866D+01
      3  -0.484194D+00 -0.455711D+00  0.107367D+01  0.160052D+01 -0.117198D+01
                26            27            28            29            30 
      1  -0.102866D+01 -0.117198D+01 -0.188953D+01 -0.759457D+00 -0.175211D+01
      2   0.263501D+01  0.209007D+01 -0.759457D+00 -0.563806D+00 -0.244948D+00
      3   0.209007D+01  0.424809D+01 -0.175211D+01 -0.244948D+00 -0.156447D+01
                31            32            33            34            35 
      1  -0.261507D+01 -0.156400D+01 -0.632449D+00 -0.397335D+01 -0.585269D+00
      2  -0.156400D+01 -0.127897D+01 -0.152752D+01 -0.585269D+00 -0.148484D+01
      3  -0.632449D+00 -0.152752D+01 -0.241550D+01 -0.296661D+01 -0.185672D+01
                36            37            38            39            40 
      1  -0.296661D+01  0.855044D+01  0.814576D+00  0.170691D+01 -0.265921D+01
      2  -0.185672D+01  0.814576D+00 -0.281141D+01  0.859897D+00 -0.358187D+01
      3  -0.773867D+01  0.170691D+01  0.859897D+00 -0.180241D+01  0.159107D+01
                41            42            43            44            45 
      1  -0.358187D+01  0.159107D+01  0.526615D+01  0.219155D+01 -0.221795D+01
      2   0.286365D+01  0.535452D+00  0.219155D+01  0.108646D+01 -0.307456D+01
      3   0.535452D+00 -0.347684D+01 -0.221795D+01 -0.307456D+01 -0.461486D+01
                46            47            48            49            50 
      1  -0.158038D+02 -0.231827D+01 -0.513704D+00 -0.317147D+01  0.185414D+01
      2  -0.231827D+01 -0.272635D+01 -0.592556D-01  0.185414D+01 -0.140784D+00
      3  -0.513704D+00 -0.592556D-01 -0.217326D+01  0.956797D+00  0.152298D-01
                51            52            53            54            55 
      1   0.956797D+00 -0.726219D+00  0.835951D+00 -0.355149D+01 -0.463819D+00
      2   0.152298D-01  0.835951D+00 -0.125931D+00 -0.537320D+00  0.221440D+00
      3  -0.425507D+00 -0.355149D+01 -0.537320D+00 -0.159453D+01  0.696986D+00
                56            57            58            59            60 
      1   0.221440D+00  0.696986D+00  0.995912D+00  0.225386D+00 -0.468949D+00
      2   0.603979D+00 -0.770984D-01  0.225386D+00  0.568512D+00  0.114247D+01
      3  -0.770984D-01  0.106954D+01 -0.468949D+00  0.114247D+01  0.225068D+01
                61            62            63            64            65 
      1   0.111649D+01  0.386667D-01 -0.618838D+00  0.866694D+00 -0.904725D+00
      2   0.386667D-01  0.139522D+01  0.778695D+00 -0.904725D+00  0.155256D+01
      3  -0.618838D+00  0.778695D+00  0.744328D+01 -0.367931D+00 -0.350455D+00
                66            67            68            69            70 
      1  -0.367931D+00 -0.179042D+01  0.524349D+00  0.918915D-01 -0.754090D+00
      2  -0.350455D+00  0.524349D+00 -0.741065D+01  0.618921D+00 -0.288285D+00
      3   0.653225D+00  0.918915D-01  0.618921D+00 -0.103632D+01  0.305489D+00
                71            72            73            74            75 
      1  -0.288285D+00  0.305489D+00 -0.137036D+02 -0.229325D+01  0.434060D-01
      2   0.253121D+00 -0.738899D+00 -0.229325D+01 -0.136396D+01  0.116733D+00
      3  -0.738899D+00  0.611364D+00  0.434060D-01  0.116733D+00 -0.121981D+01
                76            77            78            79            80 
      1  -0.619519D+00 -0.122264D+01 -0.199838D+00 -0.213992D+01 -0.479591D+00
      2  -0.122264D+01 -0.875706D+00 -0.966222D-01 -0.479591D+00 -0.571956D+00
      3  -0.199838D+00 -0.966222D-01  0.303613D+00 -0.109258D+01  0.788572D-01
                81            82            83            84            85 
      1  -0.109258D+01  0.427980D+01 -0.107641D+01  0.378123D+00  0.758209D+01
      2   0.788572D-01 -0.107641D+01 -0.311163D+01 -0.791163D+00  0.147252D+00
      3  -0.512360D-01  0.378123D+00 -0.791163D+00 -0.216609D+01  0.571206D-01
                86            87            88            89            90 
      1   0.147252D+00  0.571206D-01  0.253288D+01 -0.245353D+00 -0.170272D+01
      2   0.159347D+01 -0.494450D+00 -0.245353D+00 -0.114345D+01  0.336208D+01
      3  -0.494450D+00  0.211664D+01 -0.170272D+01  0.336208D+01  0.721263D+00
                91            92            93            94            95 
      1  -0.322092D+01 -0.160608D+00 -0.566284D+00  0.508800D+01 -0.932894D-01
      2  -0.160608D+00  0.283917D+01 -0.314845D+00 -0.932894D-01  0.115357D+01
      3  -0.566284D+00 -0.314845D+00  0.119133D+01 -0.254362D+00 -0.894497D+00
                96            97            98            99           100 
      1  -0.254362D+00  0.968559D-01 -0.100251D+01  0.212846D+01  0.545067D+01
      2  -0.894497D+00 -0.100251D+01 -0.941692D+00  0.373309D+01  0.299417D+00
      3   0.237663D+01  0.212846D+01  0.373309D+01  0.243020D+01 -0.688411D+00
               101           102           103           104           105 
      1   0.299417D+00 -0.688411D+00  0.683380D+00 -0.628295D+00 -0.110971D+01
      2   0.322801D+01 -0.421688D-01 -0.628295D+00 -0.440472D-01 -0.372975D+00
      3  -0.421688D-01  0.325220D+01 -0.110971D+01 -0.372975D+00 -0.422187D-01
               106           107           108           109           110 
      1  -0.202204D+00 -0.104627D+01  0.515338D+01 -0.229112D+01 -0.179403D+00
      2  -0.104627D+01  0.404732D+00  0.711277D-01 -0.179403D+00  0.247183D+01
      3   0.515338D+01  0.711277D-01  0.137680D+01 -0.482411D+00  0.772672D+00
               111           112           113           114           115 
      1  -0.482411D+00 -0.535153D+01 -0.560060D+00 -0.773798D+00 -0.184779D+01
      2   0.772672D+00 -0.560060D+00 -0.873061D+00  0.106662D+01 -0.252974D+00
      3   0.173646D+01 -0.773798D+00  0.106662D+01 -0.249969D+01  0.273628D+01
               116           117           118           119           120 
      1  -0.252974D+00  0.273628D+01  0.359462D+01  0.187131D+01  0.645265D+00
      2   0.149113D+01 -0.328430D+01  0.187131D+01 -0.280770D+01  0.103888D+00
      3  -0.328430D+01 -0.102877D+01  0.645265D+00  0.103888D+00 -0.142587D+01
               121           122           123           124           125 
      1  -0.638728D+01 -0.744884D+00  0.287966D+00  0.171848D-01  0.936210D+00
      2  -0.744884D+00 -0.143345D+01  0.932565D+00  0.936210D+00  0.639600D+00
      3   0.287966D+00  0.932565D+00 -0.164807D+01 -0.924184D+00 -0.314603D+01
               126           127           128           129           130 
      1  -0.924184D+00 -0.286554D+01  0.219980D+01  0.120906D-01  0.225454D+01
      2  -0.314603D+01  0.219980D+01 -0.261760D+01 -0.891475D-01 -0.283448D+01
      3  -0.236967D+01  0.120906D-01 -0.891475D-01 -0.243784D+00 -0.251805D+00
               131           132           133           134           135 
      1  -0.283448D+01 -0.251805D+00 -0.248083D+00 -0.864571D-01  0.385947D-01
      2   0.705613D+01  0.480388D+00 -0.864571D-01  0.559636D+00  0.147860D+00
      3   0.480388D+00  0.723667D+00  0.385947D-01  0.147860D+00 -0.492873D-01
               136           137           138           139           140 
      1   0.290178D+01  0.302545D+01  0.731135D+00  0.267924D+01  0.407708D+01
      2   0.302545D+01  0.323654D+01  0.738168D+00  0.407708D+01  0.869932D+01
      3   0.731135D+00  0.738168D+00  0.570105D+00  0.826553D+00  0.163782D+01
               141           142           143           144           145 
      1   0.826553D+00  0.762471D+00  0.103689D+01  0.308276D+00  0.131698D+02
      2   0.163782D+01  0.103689D+01  0.189580D+01  0.402383D+00  0.377219D+00
      3   0.111725D+01  0.308276D+00  0.402383D+00  0.275657D+00  0.131091D+01
               146           147           148           149           150 
      1   0.377219D+00  0.131091D+01  0.297115D+00  0.156514D+01  0.322481D+00
      2   0.755721D+00  0.231241D-01  0.156514D+01  0.135251D+00  0.170818D+00
      3   0.231241D-01  0.999841D+00  0.322481D+00  0.170818D+00  0.749145D-01
               151           152           153           154           155 
      1   0.143301D+01  0.351518D+00  0.101232D+00  0.403363D+01 -0.356722D+01
      2   0.351518D+00  0.953379D-01  0.561502D-02 -0.356722D+01  0.361852D+01
      3   0.101232D+00  0.561502D-02  0.123822D+00 -0.334879D+00  0.264911D+00
               156           157           158           159           160 
      1  -0.334879D+00 -0.338826D+01  0.447819D+01  0.631811D+00 -0.263253D+00
      2   0.264911D+00  0.447819D+01 -0.759946D+01 -0.918190D+00  0.479982D+00
      3   0.520587D+00  0.631811D+00 -0.918190D+00 -0.857422D+00  0.125150D+00
               161           162           163           164           165 
      1   0.479982D+00  0.125150D+00 -0.227792D+01 -0.208359D+01 -0.419762D+00
      2  -0.110523D+01 -0.253628D+00 -0.208359D+01 -0.219532D+01 -0.619693D+00
      3  -0.253628D+00 -0.168728D+00 -0.419762D+00 -0.619693D+00 -0.445712D+00
               166           167           168           169           170 
      1  -0.195620D+01 -0.247972D+01 -0.560785D+00 -0.582810D+00 -0.780831D+00
      2  -0.247972D+01 -0.744986D+01 -0.170575D+01 -0.780831D+00 -0.183911D+01
      3  -0.560785D+00 -0.170575D+01 -0.117200D+01 -0.209134D+00 -0.569272D+00
               171 
      1  -0.209134D+00
      2  -0.569272D+00
      3  -0.404390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.304522D+00 -0.259781D+00  0.751540D+00  0.797363D-01 -0.310294D+00
      2  -0.635250D+00 -0.187853D+00  0.452526D+01 -0.941134D+00  0.378076D+01
      3   0.308957D+01 -0.891735D+01  0.101983D+01  0.827298D+00  0.769288D+01
                 6             7             8             9            10 
      1  -0.105886D+01 -0.391946D+01  0.628286D+01  0.791206D+01 -0.221762D+01
      2   0.324558D+01 -0.108220D+01  0.374718D+01  0.113290D+02  0.126082D+01
      3  -0.524189D+01  0.179532D+00 -0.598399D+01 -0.238799D+01  0.645007D+01
                11            12            13            14            15 
      1  -0.144853D+00  0.974725D+00 -0.122216D+01 -0.238547D+00  0.210479D+00
      2   0.153237D+01 -0.155798D+01  0.431032D+01  0.110942D+01 -0.758045D+01
      3   0.281324D+01 -0.104645D+00  0.141010D+02 -0.612404D+01  0.118222D+01
                16            17            18            19            20 
      1   0.413789D+01  0.516040D+01 -0.618284D+00 -0.443478D+00  0.397599D+00
      2  -0.151343D+02 -0.762885D+01 -0.868977D+01 -0.195217D+01  0.750320D+00
      3  -0.925606D+00 -0.147421D+01  0.685779D+01  0.212409D+01 -0.169633D+00
                21            22            23            24            25 
      1   0.495825D+00  0.922376D+00 -0.271860D+01 -0.371415D+01  0.276319D+01
      2   0.979926D+00  0.772191D+00 -0.309916D+01 -0.434563D+01  0.811546D+00
      3  -0.938476D-02  0.398413D+00  0.444895D+01  0.274599D+01 -0.144493D+00
                26            27            28            29            30 
      1  -0.289632D+01 -0.860439D+01 -0.561513D+00  0.105344D+01 -0.594211D+00
      2  -0.587813D+01 -0.109323D+02  0.176449D+01  0.344955D+00  0.305460D+01
      3   0.659915D+01  0.511277D+01 -0.166836D+01 -0.333268D+01 -0.325651D+00
                31            32            33            34            35 
      1   0.103591D+01  0.873496D+00 -0.735864D+00 -0.100276D+01  0.236102D+01
      2  -0.384885D+00  0.161816D+01  0.440958D+01  0.153519D+01  0.295024D+01
      3  -0.181678D+01 -0.164863D+01 -0.329180D+01 -0.106384D+00 -0.309026D+01
                36            37            38            39            40 
      1  -0.142538D+01  0.388993D+01 -0.220224D+01 -0.264341D+01  0.741700D+00
      2   0.128322D+02 -0.117773D+02 -0.390944D+01  0.711934D+01 -0.573532D+01
      3  -0.386325D+01 -0.836794D+01 -0.137165D+02  0.107590D+00 -0.775905D+01
                41            42            43            44            45 
      1   0.649275D+01 -0.711063D+01 -0.115061D+01 -0.256667D+01 -0.755596D+01
      2  -0.171560D+00  0.823340D+01  0.198040D+01  0.764489D+01  0.134701D+02
      3   0.158711D+02 -0.159393D-01  0.212254D+01 -0.422936D+00 -0.699407D+01
                46            47            48            49            50 
      1   0.851792D+00 -0.703563D+00 -0.391788D+00 -0.328978D+01 -0.167732D+01
      2   0.117632D-01 -0.160797D+01 -0.946557D+00 -0.111302D+01  0.585766D+00
      3  -0.699068D+01  0.502961D+01  0.622551D+00  0.136430D+02 -0.161027D-01
                51            52            53            54            55 
      1   0.184076D+01  0.934081D+00  0.102198D+02  0.219212D+01  0.117262D+01
      2   0.113508D+01 -0.130620D+02  0.828918D+00  0.186040D+00 -0.219713D+01
      3   0.323149D+00 -0.660230D+00  0.217352D+01 -0.103151D+01  0.121283D+01
                56            57            58            59            60 
      1   0.112627D+01  0.102643D+01  0.175932D+00  0.273802D+01  0.234199D+01
      2  -0.193865D+00 -0.265860D+01 -0.318824D+00 -0.314031D+01 -0.570971D+01
      3   0.114901D+01 -0.780335D+00  0.135154D+01  0.123052D+01  0.309070D+01
                61            62            63            64            65 
      1  -0.451425D+00  0.528698D+01  0.986440D+01 -0.215539D+01  0.144527D+01
      2  -0.252166D+01 -0.270820D+01 -0.187707D+02 -0.232334D+00  0.122404D+01
      3  -0.108215D+01  0.389027D+01  0.294106D+01 -0.738761D+01  0.576353D+01
                66            67            68            69            70 
      1   0.169443D+01  0.132167D+01 -0.564134D+01 -0.297662D+01  0.837044D+00
      2  -0.979654D+00  0.126973D+01 -0.242441D+01  0.190465D+01 -0.162262D+01
      3   0.402099D+00  0.791547D+01 -0.208396D+02  0.126556D+01  0.130657D+01
                71            72            73            74            75 
      1   0.348547D+00  0.254184D+00 -0.609149D+00 -0.829614D+00 -0.184787D+01
      2   0.144014D+01 -0.148995D+01  0.769469D+01  0.847524D+00  0.659358D+01
      3   0.662751D+00 -0.268288D+01  0.934468D+01 -0.474721D+01  0.437323D+00
                76            77            78            79            80 
      1  -0.776524D+00 -0.710965D+00 -0.363370D+00 -0.133257D+01  0.724576D+00
      2   0.120824D+01  0.721942D+00 -0.501415D+00  0.224718D+01 -0.448108D+00
      3  -0.898388D+00 -0.183292D+01 -0.285256D+00  0.162312D+00 -0.998763D+00
                81            82            83            84            85 
      1   0.127036D+00 -0.127934D+01 -0.610528D-01  0.321136D+01 -0.837400D+00
      2   0.567510D+00  0.257167D+01  0.123315D+00 -0.133326D+01  0.312102D+01
      3   0.170677D+01  0.627057D+01 -0.135183D+01  0.148792D+01  0.706348D+01
                86            87            88            89            90 
      1  -0.701091D-01 -0.299383D+01  0.515867D+01  0.257039D+01  0.158966D+00
      2   0.107689D+01  0.558713D+00 -0.121530D+02  0.160194D+00 -0.651432D+00
      3  -0.514815D+01  0.249637D+00  0.176912D+01 -0.457405D+00 -0.494623D+01
                91            92            93            94            95 
      1   0.127797D+01  0.614884D+00 -0.218406D+01  0.900430D+00  0.193228D+00
      2  -0.156920D+00  0.120989D+01  0.671314D-02  0.571893D+00 -0.289716D+01
      3  -0.332289D+01 -0.963933D+01 -0.198879D+01  0.586035D+01 -0.244932D+01
                96            97            98            99           100 
      1  -0.343010D+01 -0.512806D+01  0.183833D+01 -0.127032D+01  0.131928D+00
      2   0.693343D+01 -0.704667D+01  0.929617D+01  0.371723D+01 -0.362880D+00
      3   0.182093D+01  0.717424D-01  0.130651D+01 -0.488473D+01  0.751366D+00
               101           102           103           104           105 
      1  -0.751849D+00 -0.684525D+00 -0.120251D+01 -0.283809D+01  0.286834D+01
      2  -0.267769D+00  0.944618D+01 -0.332716D+01 -0.255615D+00 -0.565766D+00
      3  -0.780633D+01  0.390085D+00  0.109072D+02  0.355949D+01  0.204241D+01
               106           107           108           109           110 
      1  -0.954932D+00  0.108207D+02  0.231705D+01 -0.115683D+01 -0.237111D+00
      2   0.769046D+01  0.213731D+00  0.296616D+01 -0.602290D+00  0.235377D+01
      3   0.318895D+01  0.121708D+01  0.102233D+01 -0.224696D+01 -0.130021D+02
               111           112           113           114           115 
      1   0.324874D+01 -0.129054D+01  0.480874D+00 -0.287471D+01  0.625360D+01
      2   0.212714D+01 -0.748591D+00  0.307325D+01 -0.664181D+01 -0.530496D+01
      3  -0.222232D+01  0.492273D+01 -0.102490D+01 -0.232540D+01  0.199339D-01
               116           117           118           119           120 
      1   0.279705D+01  0.125847D+01  0.175564D+00  0.986518D+00 -0.287759D+01
      2  -0.941403D+01 -0.346355D+01  0.336711D+01  0.159346D+01 -0.155265D+01
      3  -0.432810D+01  0.371353D+01  0.316871D+00 -0.157566D+01 -0.204547D+01
               121           122           123           124           125 
      1   0.136819D+01 -0.640359D+00 -0.283800D+01 -0.519926D+01  0.222168D+01
      2   0.939516D+00 -0.131464D+01 -0.130889D+01 -0.127380D+02 -0.105525D+01
      3   0.145312D+01  0.705263D+01  0.250767D-01 -0.398485D+01 -0.286720D+00
               126           127           128           129           130 
      1  -0.106974D+01  0.432851D+00 -0.513381D+00  0.162848D+01  0.274649D+00
      2  -0.277589D+01  0.121698D+01 -0.433063D+00  0.270208D+00 -0.442727D+00
      3   0.533984D+01 -0.900778D+01  0.421133D+01  0.207235D-01  0.738364D+01
               131           132           133           134           135 
      1  -0.229941D-01 -0.338512D+01 -0.440812D+00  0.173814D+01  0.240197D+00
      2   0.992131D+00 -0.878794D+00 -0.162342D+01  0.424598D+00 -0.804011D-01
      3  -0.656002D+01 -0.850099D+00 -0.508040D+00 -0.123052D-02 -0.839069D-01
               136           137           138           139           140 
      1  -0.198402D+00 -0.180299D-01 -0.198227D+01 -0.169959D+00  0.423554D+00
      2   0.542998D+00  0.835861D+00  0.207305D+01  0.728367D+00  0.264740D+01
      3  -0.986065D+00 -0.321758D+01 -0.542209D+00 -0.198520D+01 -0.130845D+02
               141           142           143           144           145 
      1  -0.404873D+01  0.605604D+00  0.209578D+01 -0.467789D+00 -0.941964D-01
      2   0.339403D+01 -0.647219D+00 -0.125368D+00  0.591406D+00  0.183576D+01
      3  -0.223601D+01 -0.564826D+00 -0.260869D+01 -0.395710D+00  0.729782D-01
               146           147           148           149           150 
      1   0.433545D+00 -0.187911D+00  0.231733D+00 -0.246742D-01 -0.317981D+00
      2  -0.817481D-01  0.628092D+01  0.129446D+01  0.356020D+00  0.384769D+00
      3  -0.525651D+01  0.158361D+00 -0.386619D+01 -0.262010D+00 -0.432573D+00
               151           152           153           154           155 
      1   0.112652D+00  0.614468D+00  0.392014D-01  0.308857D+00 -0.696092D+00
      2  -0.290130D+01  0.467926D-01  0.464357D+00  0.323329D+00 -0.398367D+00
      3  -0.128500D+01 -0.613888D+00 -0.255880D+00  0.130979D+01 -0.454431D+01
               156           157           158           159           160 
      1   0.208095D+01  0.223036D+00  0.140117D+00 -0.365573D+01 -0.771345D+00
      2   0.230027D+01  0.467347D+00 -0.103207D+01 -0.315945D+01 -0.758034D+00
      3  -0.553890D-01 -0.295736D+01  0.120109D+02  0.107128D+01 -0.857861D+00
               161           162           163           164           165 
      1   0.165037D+01 -0.327830D+00  0.778920D+00  0.360038D+00 -0.171883D+01
      2   0.416210D+00 -0.385177D+00 -0.164123D+01 -0.109274D+01  0.243600D+00
      3   0.211789D+01  0.361599D+00  0.825199D+01  0.462013D+01  0.785833D+00
               166           167           168           169           170 
      1   0.481387D+00  0.908556D+00 -0.374995D+01  0.331965D+00  0.242208D+01
      2  -0.167143D+01 -0.162682D+01  0.492662D+00 -0.205947D+01 -0.688677D+00
      3   0.784593D+01  0.790133D+01  0.189341D+01  0.129872D+01  0.229903D+01
               171 
      1  -0.382095D+00
      2   0.839097D-01
      3   0.470463D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.194733D+02 -0.510907D+01  0.288973D+01 -0.613152D+01  0.255854D+01
      2  -0.756583D+01 -0.673904D+00 -0.112005D+01 -0.126071D+01  0.887115D+01
      3  -0.119075D+02  0.578297D+01 -0.176968D+01  0.739222D+01 -0.114297D+02
      4  -0.167278D+02  0.187149D+02 -0.555084D+01  0.219815D+02 -0.200886D+02
      5   0.510706D+01 -0.498735D+01  0.812332D+01 -0.818816D+01  0.111357D+02
      6  -0.300554D+01  0.201155D+01 -0.270078D+01  0.357570D+01 -0.863744D+01
                 6             7             8             9            10 
      1   0.453424D+00  0.284698D+01  0.192870D+01  0.161831D+01  0.101727D+02
      2  -0.274749D+01 -0.172859D+01 -0.444594D+01 -0.673702D+01 -0.362250D+01
      3   0.229406D+01 -0.111840D+01  0.251724D+01  0.511871D+01 -0.655025D+01
      4   0.111651D+02 -0.913487D+01  0.136172D+02  0.291167D+01 -0.604226D+01
      5   0.507500D+01  0.741399D+01  0.257965D+01  0.230827D+02  0.675649D+00
      6   0.406105D+01  0.593631D+00  0.103308D+01 -0.131028D+02  0.130750D+01
                11            12            13            14            15 
      1   0.235425D+01 -0.113910D+01  0.117626D+01 -0.833729D+01  0.413428D+01
      2   0.499333D+00  0.793546D+00  0.512636D+01  0.432899D+01 -0.246987D+00
      3  -0.285358D+01  0.345556D+00 -0.630262D+01  0.400830D+01 -0.388730D+01
      4  -0.165053D+02  0.388566D+01 -0.265971D+02  0.319318D+01 -0.185983D+01
      5   0.426478D+01 -0.123578D+02  0.941556D+01 -0.195723D+01 -0.185085D+02
      6   0.261176D+01 -0.288667D+01  0.160106D+01  0.494250D+01 -0.948782D+01
                16            17            18            19            20 
      1   0.134409D+02  0.421548D+01 -0.281054D+00  0.287089D+01 -0.319798D+01
      2   0.825146D+00  0.356666D+01  0.905622D+01 -0.134188D+01  0.118310D+01
      3  -0.142661D+02 -0.778214D+01 -0.877517D+01 -0.152900D+01  0.201488D+01
      4   0.108404D+02  0.444801D+01 -0.182447D+02 -0.373638D+01  0.191695D+01
      5  -0.218281D+02 -0.167434D+02 -0.224236D+02 -0.242788D+01  0.176266D+01
      6  -0.104555D+02 -0.506892D+01 -0.483027D+01  0.146498D+01 -0.152670D+00
                21            22            23            24            25 
      1  -0.255856D+01 -0.347987D+01 -0.289235D+01 -0.136893D+01 -0.454956D+01
      2   0.603772D+00  0.267968D+00  0.534565D+01  0.293957D+01  0.198377D+01
      3   0.195479D+01  0.321191D+01 -0.245330D+01 -0.157065D+01  0.256580D+01
      4   0.239373D+01  0.540860D+01 -0.995750D+01 -0.560583D+01  0.727914D+01
      5   0.222270D+01  0.259082D+01 -0.524943D+01 -0.738728D+01  0.679069D+01
      6  -0.579336D+00 -0.154205D+01  0.457309D+01  0.655363D+01 -0.362586D+01
                26            27            28            29            30 
      1  -0.937408D+00 -0.273187D+01  0.450339D+01  0.109890D+01  0.420656D+01
      2   0.319611D+01  0.185233D+01 -0.627344D+01 -0.112567D+01 -0.475759D+01
      3  -0.225870D+01  0.879545D+00  0.177005D+01  0.267687D-01  0.551028D+00
      4  -0.126409D+02 -0.103273D+02  0.449162D+01  0.628748D+01  0.237599D+01
      5  -0.997136D+01 -0.198682D+02  0.100400D+02  0.234325D+01  0.131218D+02
      6   0.797043D+01  0.124736D+02  0.280490D+01  0.307277D+00  0.200033D+01
                31            32            33            34            35 
      1   0.144380D+01 -0.227764D+01 -0.321399D+01  0.241924D+01 -0.289229D+01
      2  -0.268244D+01 -0.454092D+00 -0.652023D+00 -0.834865D+01 -0.237491D+01
      3   0.123863D+01  0.273174D+01  0.386602D+01  0.592942D+01  0.526720D+01
      4   0.937192D+01  0.607998D+01  0.696243D+01  0.347815D+01  0.675069D+01
      5   0.384139D+01  0.660262D+01  0.105531D+02  0.188370D+02  0.836252D+01
      6   0.266925D+01  0.483377D+01  0.924914D+01  0.517739D+01  0.664053D+01
                36            37            38            39            40 
      1  -0.106574D+02 -0.574135D+02 -0.159172D+02 -0.167836D+01 -0.738197D+01
      2  -0.147004D+02  0.241142D+02  0.148474D+02  0.418358D+01  0.671005D+01
      3   0.253577D+02  0.332993D+02  0.106980D+01 -0.250522D+01  0.671924D+00
      4   0.863023D+01 -0.175357D+02  0.122446D+02 -0.488534D+01  0.179796D+02
      5   0.333047D+02 -0.297435D+01 -0.236418D+01  0.110188D+02 -0.832807D+01
      6   0.110953D+02 -0.446101D+01 -0.618108D+01  0.429658D+01 -0.643504D+01
                41            42            43            44            45 
      1   0.210781D+02  0.221051D+01 -0.128607D+02 -0.369404D+00  0.133401D+02
      2  -0.226435D+02  0.653653D+01  0.620595D+01  0.390186D+01  0.838732D+01
      3   0.156539D+01 -0.874703D+01  0.665472D+01 -0.353245D+01 -0.217274D+02
      4  -0.721429D+01 -0.322170D+01 -0.155251D+02 -0.515773D+01  0.196775D+02
      5  -0.642540D+01  0.162310D+02  0.151432D+02  0.160637D+02  0.180156D+02
      6  -0.268603D+00  0.668672D+01  0.796887D+01  0.671117D+01 -0.119443D+01
                46            47            48            49            50 
      1  -0.197015D+02  0.112749D+00 -0.138186D+00  0.170448D+01 -0.795803D+01
      2   0.680605D+01 -0.634295D+00 -0.336385D+00 -0.232637D+01  0.137928D+02
      3   0.128954D+02  0.521546D+00  0.474571D+00  0.621892D+00 -0.583478D+01
      4   0.111088D+02  0.505094D+01  0.639853D+00 -0.116477D+02 -0.232105D+01
      5  -0.105538D+01  0.141020D+00  0.498994D+00 -0.360274D+01 -0.779202D+00
      6  -0.763873D+00  0.189925D+00 -0.879486D-01 -0.205228D+01  0.297457D+01
                51            52            53            54            55 
      1  -0.966848D-01 -0.693675D+01 -0.848793D+00 -0.968159D+01  0.399219D+01
      2   0.453112D+01  0.126338D+01  0.155099D+01 -0.354286D+01 -0.449960D+01
      3  -0.443443D+01  0.567336D+01 -0.702194D+00  0.132245D+02  0.507413D+00
      4  -0.133852D+01 -0.317599D+01 -0.198914D+01  0.275328D+01  0.266911D+00
      5   0.224183D+01  0.401280D+01  0.217930D+01  0.606303D+00 -0.287575D+01
      6  -0.355629D+01 -0.120378D+01  0.588216D+01 -0.264877D+01  0.180705D+00
                56            57            58            59            60 
      1   0.520526D+00 -0.654738D+01 -0.244956D+01 -0.499468D+01 -0.242855D+01
      2  -0.133540D+01  0.696405D+00  0.189969D+01  0.868113D+00 -0.581558D+01
      3   0.814878D+00  0.585097D+01  0.549871D+00  0.412657D+01  0.824413D+01
      4  -0.208740D+01 -0.687513D+00 -0.374019D+00 -0.384825D+01 -0.564828D+01
      5   0.880597D+00  0.273716D+00  0.404920D+01 -0.426903D+01 -0.102426D+02
      6   0.169132D+01 -0.107362D+01  0.343266D-01  0.210816D+01  0.366292D+01
                61            62            63            64            65 
      1  -0.564655D+01 -0.969586D+00 -0.170070D+02 -0.197203D+01  0.925288D+01
      2   0.434848D+01 -0.422502D+01 -0.179213D+02  0.489652D+01 -0.974648D+01
      3   0.129807D+01  0.519461D+01  0.349283D+02 -0.292449D+01  0.493594D+00
      4  -0.173921D+01 -0.736098D+01 -0.620036D+01  0.116379D+01 -0.229574D+01
      5   0.844242D+01 -0.355723D+01 -0.320022D+02  0.227091D+01 -0.449832D+00
      6   0.695350D+00  0.421854D+01 -0.719798D+01 -0.981182D-01  0.279556D+01
                66            67            68            69            70 
      1  -0.717521D+00  0.932890D+01 -0.250174D+02  0.220420D+01  0.184154D+01
      2  -0.354804D+00 -0.663092D+01  0.378887D+02 -0.143399D+01 -0.120562D+01
      3   0.107232D+01 -0.269798D+01 -0.128713D+02 -0.770202D+00 -0.635922D+00
      4   0.124307D+01  0.422873D+01  0.288835D+02 -0.253807D+01  0.218465D+01
      5  -0.215391D+01 -0.290355D+01 -0.279002D+00  0.387426D+01 -0.651440D-01
      6  -0.264222D+01  0.715458D+00 -0.100017D+02  0.631277D+01 -0.158600D+01
                71            72            73            74            75 
      1   0.182723D+01 -0.583529D+01  0.868224D+02  0.110180D+02  0.219671D+01
      2  -0.514927D+00  0.295760D+01 -0.414364D+02 -0.265430D+01  0.609308D+00
      3  -0.131231D+01  0.287769D+01 -0.453860D+02 -0.836370D+01 -0.280602D+01
      4  -0.448204D+00  0.149364D+01  0.321655D+02  0.156162D+02  0.446802D-01
      5   0.222034D+01 -0.201194D+01 -0.100366D+02 -0.180743D+01  0.109667D+02
      6   0.632037D+01 -0.114260D+01 -0.396455D+00 -0.151510D+01  0.349524D+01
                76            77            78            79            80 
      1   0.264993D+01  0.558185D+01  0.137035D+00  0.990163D+01  0.968876D+00
      2   0.137032D+01  0.237085D+00 -0.535972D+00 -0.381948D+01 -0.847689D-01
      3  -0.402026D+01 -0.581894D+01  0.398938D+00 -0.608215D+01 -0.884107D+00
      4   0.129551D+02  0.706980D+01  0.697770D+00  0.453397D+01  0.317844D+01
      5   0.482114D+00 -0.354941D-01 -0.877589D+00  0.100927D+02  0.220355D+00
      6  -0.795952D+00 -0.621089D+00  0.835518D+00  0.294765D+01  0.805453D+00
                81            82            83            84            85 
      1   0.621902D+01  0.532075D+01  0.165729D+02  0.534000D+01 -0.240724D+01
      2  -0.535213D+01 -0.605280D+01 -0.110488D+02 -0.133538D+01  0.114915D+02
      3  -0.866898D+00  0.732045D+00 -0.552414D+01 -0.400462D+01 -0.908424D+01
      4   0.112184D+01  0.802045D+01 -0.114119D+02  0.577400D+00  0.403557D+01
      5   0.429480D+00  0.224502D+01  0.396712D+00 -0.160816D+01  0.207088D+01
      6   0.680005D+00  0.331367D+01 -0.299789D+01 -0.647078D+01  0.502459D+01
                86            87            88            89            90 
      1   0.317993D+01  0.251171D+01 -0.241452D+00  0.468028D+01 -0.147286D+02
      2  -0.840900D+01 -0.244249D+01  0.282114D+01 -0.629925D+01  0.210382D+01
      3   0.522907D+01 -0.692202D-01 -0.257969D+01  0.161897D+01  0.126248D+02
      4   0.152386D+02  0.189968D+01  0.706576D+00 -0.169192D+01  0.363244D+01
      5   0.174811D+01  0.121367D+00  0.401955D+01  0.352078D+01 -0.203569D+01
      6  -0.352373D+01  0.716291D+01 -0.271932D+01  0.138563D+02 -0.558814D-01
                91            92            93            94            95 
      1   0.456516D+01 -0.227397D+02 -0.232087D+01  0.242231D+02  0.104945D+02
      2  -0.338405D+01  0.145408D+02  0.914792D+00 -0.238256D+02 -0.149684D+02
      3  -0.118111D+01  0.819890D+01  0.140608D+01 -0.397493D+00  0.447391D+01
      4  -0.132591D+02 -0.673198D+01 -0.530641D+01  0.749669D+01 -0.451560D+01
      5  -0.431062D+01 -0.493857D+01 -0.199963D+01 -0.111579D+01 -0.611051D+01
      6  -0.563479D+01 -0.229333D+01  0.515784D+01 -0.496285D+01 -0.943494D+01
                96            97            98            99           100 
      1   0.152400D+01  0.239498D+01 -0.321540D+01 -0.480711D+01 -0.128896D+02
      2  -0.610105D+01 -0.607472D+01 -0.470640D+01 -0.604775D+01  0.696261D+01
      3   0.457705D+01  0.367975D+01  0.792180D+01  0.108549D+02  0.592695D+01
      4  -0.595057D+01 -0.550684D+01 -0.979031D+01  0.135164D+02 -0.143559D+01
      5   0.142939D+02  0.139221D+02  0.142481D+02  0.750268D+01 -0.895397D+01
      6   0.628021D+01  0.532284D+01  0.140773D+02  0.338244D+01  0.388377D+00
               101           102           103           104           105 
      1  -0.702799D+00 -0.770569D+01  0.385328D+01 -0.219970D+02 -0.608866D+01
      2   0.561958D+00  0.383643D+01 -0.223812D+01  0.202154D+02  0.914319D+01
      3   0.140842D+00  0.386927D+01 -0.161516D+01  0.178164D+01 -0.305453D+01
      4   0.234614D+02  0.789182D-01 -0.216994D+02 -0.689773D+01 -0.363740D+01
      5  -0.756158D-02  0.204488D+02 -0.100351D+02 -0.266166D+01 -0.127247D+01
      6   0.639941D+00  0.144950D+01 -0.303657D+01  0.412496D+01 -0.572060D+01
               106           107           108           109           110 
      1  -0.867252D+01 -0.654664D+01  0.124239D+02  0.389082D+01  0.236975D+02
      2   0.285483D+01  0.505738D+01 -0.169444D+02 -0.566041D+01 -0.139900D+02
      3   0.581769D+01  0.148925D+01  0.452055D+01  0.176959D+01 -0.970742D+01
      4  -0.109462D+02  0.100777D+01 -0.898114D+00  0.197624D+02  0.173970D+01
      5   0.342436D+02  0.148789D+00  0.626303D+01  0.425131D+00  0.420760D+01
      6   0.131355D+00  0.625853D+01 -0.387785D+01  0.279536D+01 -0.251768D+01
               111           112           113           114           115 
      1   0.525377D+01 -0.238484D+02  0.688475D+01  0.194695D+01 -0.740708D+01
      2   0.460881D+00  0.247447D+02 -0.123115D+02 -0.188806D+01  0.833799D+01
      3  -0.571465D+01 -0.896361D+00  0.542676D+01 -0.588839D-01 -0.930915D+00
      4   0.477681D+01  0.611130D+01  0.129383D+02  0.850631D+01  0.232306D+01
      5   0.477526D+01 -0.262733D+01  0.770451D+01 -0.134350D+02  0.181468D+02
      6  -0.725422D+01  0.651190D+01 -0.591264D+01  0.689007D+01 -0.658707D+01
               116           117           118           119           120 
      1   0.650388D+01  0.690883D+00  0.640488D+01 -0.143162D+02  0.101308D-01
      2  -0.863267D+01 -0.744822D+01 -0.591005D+01  0.109524D+02 -0.168933D+01
      3   0.212879D+01  0.675734D+01 -0.494831D+00  0.336380D+01  0.167920D+01
      4   0.717395D+01 -0.136024D+02 -0.118685D+02 -0.180316D+02 -0.415617D+01
      5  -0.140459D+02 -0.717311D+01 -0.909309D-01 -0.394284D+01 -0.482750D+01
      6   0.131685D+02 -0.663281D+00 -0.338245D+01 -0.256584D+01  0.599294D+01
               121           122           123           124           125 
      1   0.260349D+01  0.799778D+01  0.458653D+01  0.192248D+01  0.155672D+01
      2  -0.973819D+01 -0.113470D+02 -0.634691D+01 -0.413823D+01 -0.715091D+01
      3   0.713470D+01  0.334924D+01  0.176038D+01  0.221574D+01  0.559420D+01
      4   0.115679D+02 -0.132342D+02 -0.165684D+01 -0.967244D-01 -0.412114D+01
      5   0.312137D+00 -0.167191D+01 -0.132121D+01  0.221634D+00 -0.501610D+01
      6  -0.498579D+01 -0.942983D+01  0.403499D+01  0.341660D+01  0.117516D+02
               126           127           128           129           130 
      1  -0.152283D+02 -0.445618D+01  0.794537D+01  0.244932D+00  0.875651D+01
      2   0.291339D-01  0.687669D+01 -0.110731D+02 -0.373280D+00 -0.119180D+02
      3   0.151992D+02 -0.242051D+01  0.312771D+01  0.128348D+00  0.316146D+01
      4  -0.624713D+01 -0.756719D+01  0.769286D+01  0.651346D+00  0.734137D+01
      5  -0.594443D+01 -0.460928D+00  0.836920D+00  0.962031D+00  0.896871D+00
      6   0.423869D+01 -0.510753D-01 -0.361483D-01 -0.196758D+01 -0.104743D+01
               131           132           133           134           135 
      1  -0.252109D+02 -0.200745D+01  0.619832D+00 -0.193540D+01 -0.877236D+00
      2   0.345047D+02  0.167201D+01 -0.104606D+01  0.256734D+01  0.168233D+01
      3  -0.929379D+01  0.335442D+00  0.426231D+00 -0.631942D+00 -0.805094D+00
      4  -0.720467D+01 -0.406450D+00  0.211730D+00 -0.113470D+00 -0.157969D+01
      5  -0.893298D+00 -0.949661D+00  0.573714D+00 -0.780858D+00 -0.741673D-01
      6   0.260536D+01  0.528200D+01 -0.744828D+00  0.192472D+01  0.293946D+00
               136           137           138           139           140 
      1   0.867954D+01  0.677276D+01  0.129483D+01  0.113448D+01 -0.991825D+01
      2   0.205468D+01  0.451942D+01  0.719651D-01  0.105739D+02  0.314081D+02
      3  -0.107342D+02 -0.112922D+02 -0.136679D+01 -0.117084D+02 -0.214898D+02
      4   0.226811D+02  0.260464D+02  0.532955D+01  0.273436D+02  0.474288D+02
      5   0.491520D+01  0.522520D+01  0.511402D+01  0.523730D+01  0.827009D+01
      6   0.360722D+01  0.414063D+01  0.328441D+01  0.509335D+01  0.106427D+02
               141           142           143           144           145 
      1  -0.199584D+01  0.107794D+01 -0.114828D+01 -0.906984D+00  0.100808D+03
      2   0.381137D+01  0.144212D+01  0.504865D+01  0.221311D+01 -0.578484D+02
      3  -0.181553D+01 -0.252006D+01 -0.390037D+01 -0.130613D+01 -0.429599D+02
      4   0.864025D+01  0.686880D+01  0.106359D+02  0.382712D+01  0.348828D+01
      5   0.593789D+01  0.244648D+01  0.309667D+01  0.226347D+01  0.126815D+02
      6   0.801331D+01  0.231873D+01  0.414926D+01  0.285911D+01 -0.195988D+01
               146           147           148           149           150 
      1   0.290269D+01  0.838664D+01  0.179159D+01  0.929180D+01  0.129482D+01
      2  -0.145926D+01 -0.577108D+01 -0.866894D+00 -0.454184D+01 -0.111442D+01
      3  -0.144343D+01 -0.261557D+01 -0.924700D+00 -0.474997D+01 -0.180400D+00
      4   0.840945D+01  0.105204D+00  0.146900D+02  0.106606D+01  0.141115D+01
      5   0.183694D+00  0.108216D+02  0.266501D+01  0.150884D+01  0.604506D+00
      6   0.589137D+00 -0.485522D-01  0.106439D+01 -0.846349D-01  0.148435D+01
               151           152           153           154           155 
      1   0.105029D+02  0.150879D+01  0.382913D+01  0.155136D+02 -0.104198D+02
      2  -0.615558D+01 -0.881325D+00 -0.232542D+01 -0.309704D+00 -0.360570D+01
      3  -0.434732D+01 -0.627461D+00 -0.150371D+01 -0.152038D+02  0.140255D+02
      4   0.279032D+01  0.115512D+01  0.507524D+00 -0.289952D+02  0.298564D+02
      5   0.314269D+01  0.302274D+00  0.199714D+01 -0.348438D+01  0.263909D+01
      6  -0.257113D-03  0.480625D+00  0.291510D+00  0.115521D+01 -0.916256D+00
               156           157           158           159           160 
      1  -0.134644D+01 -0.578279D+01 -0.146168D+01 -0.738165D-02  0.435978D+00
      2   0.312390D+00 -0.901139D+01  0.236253D+02  0.121204D+01 -0.157343D+01
      3   0.103405D+01  0.147942D+02 -0.221636D+02 -0.120466D+01  0.113746D+01
      4   0.248770D+01  0.325173D+02 -0.475766D+02 -0.552515D+01  0.346571D+01
      5   0.488752D+01  0.457477D+01 -0.612635D+01 -0.542431D+01  0.205117D+01
      6  -0.284464D+01 -0.289585D+01  0.466595D+01  0.608388D+01 -0.162378D+01
               161           162           163           164           165 
      1  -0.114475D+01 -0.413109D+00 -0.491431D+01 -0.778396D+01 -0.292229D+01
      2   0.322067D+01  0.157599D+01  0.635893D+01  0.921164D+01  0.188036D+01
      3  -0.207591D+01 -0.116289D+01 -0.144462D+01 -0.142768D+01  0.104192D+01
      4  -0.560734D+01 -0.305073D+01  0.556535D+01  0.742928D+01  0.128269D+01
      5  -0.202656D+01 -0.954699D+00  0.372017D+00  0.902567D+00  0.168960D+01
      6   0.250867D+01  0.141194D+01  0.273528D+01  0.419890D+01  0.287950D+01
               166           167           168           169           170 
      1  -0.821545D+01 -0.286038D+02 -0.732017D+01 -0.246430D+01 -0.670622D+01
      2   0.103760D+02  0.367930D+02  0.652757D+01  0.263312D+01  0.768224D+01
      3  -0.216055D+01 -0.818922D+01  0.792600D+00 -0.168821D+00 -0.976026D+00
      4   0.604237D+01  0.250676D+01  0.167643D+00  0.144248D+01  0.954018D+00
      5   0.664715D+00 -0.511384D+00  0.485727D+00  0.114585D+01  0.745436D+00
      6   0.352549D+01  0.117299D+02  0.814917D+01  0.152036D+01  0.471434D+01
               171 
      1  -0.295115D+01
      2   0.317633D+01
      3  -0.225178D+00
      4   0.207874D+01
      5   0.108459D+01
      6   0.327369D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:36:43 2021, MaxMem=  5368709120 cpu:           14898.9 elap:            1867.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47776 -10.49610 -10.44995 -10.44478 -10.44365
 Alpha  occ. eigenvalues --  -10.44353 -10.44188 -10.44031 -10.43488  -1.16868
 Alpha  occ. eigenvalues --   -1.00659  -0.92178  -0.88713  -0.86583  -0.77556
 Alpha  occ. eigenvalues --   -0.73488  -0.71487  -0.65432  -0.60434  -0.59491
 Alpha  occ. eigenvalues --   -0.56693  -0.55571  -0.54889  -0.53347  -0.50974
 Alpha  occ. eigenvalues --   -0.49153  -0.48313  -0.46333  -0.44476  -0.43851
 Alpha  occ. eigenvalues --   -0.39594  -0.35382  -0.34421
 Alpha virt. eigenvalues --   -0.01210  -0.00381  -0.00348   0.00690   0.01229
 Alpha virt. eigenvalues --    0.01460   0.02559   0.03394   0.03474   0.05030
 Alpha virt. eigenvalues --    0.05255   0.05942   0.06332   0.06872   0.07761
 Alpha virt. eigenvalues --    0.08546   0.09422   0.10040   0.10272   0.10885
 Alpha virt. eigenvalues --    0.10975   0.11406   0.12196   0.12216   0.12506
 Alpha virt. eigenvalues --    0.12846   0.13248   0.13591   0.14144   0.14406
 Alpha virt. eigenvalues --    0.14632   0.15301   0.15865   0.16723   0.17238
 Alpha virt. eigenvalues --    0.18297   0.19470   0.20825   0.22079   0.22665
 Alpha virt. eigenvalues --    0.24160   0.24798   0.25075   0.25645   0.26092
 Alpha virt. eigenvalues --    0.26621   0.27382   0.28034   0.28618   0.29170
 Alpha virt. eigenvalues --    0.30193   0.30995   0.31229   0.31744   0.31771
 Alpha virt. eigenvalues --    0.32489   0.32743   0.32967   0.35336   0.35614
 Alpha virt. eigenvalues --    0.36138   0.36626   0.37062   0.37242   0.39043
 Alpha virt. eigenvalues --    0.39292   0.40287   0.41041   0.41992   0.43121
 Alpha virt. eigenvalues --    0.43889   0.44043   0.44735   0.46589   0.47477
 Alpha virt. eigenvalues --    0.47651   0.48499   0.49223   0.50105   0.50297
 Alpha virt. eigenvalues --    0.51819   0.52068   0.52263   0.53505   0.54178
 Alpha virt. eigenvalues --    0.54732   0.55602   0.55940   0.57102   0.57513
 Alpha virt. eigenvalues --    0.57871   0.58567   0.59307   0.59700   0.59848
 Alpha virt. eigenvalues --    0.60981   0.61845   0.62056   0.62225   0.63318
 Alpha virt. eigenvalues --    0.63775   0.64665   0.64752   0.66711   0.67618
 Alpha virt. eigenvalues --    0.67767   0.68106   0.68661   0.69555   0.70478
 Alpha virt. eigenvalues --    0.70825   0.71623   0.72987   0.73511   0.75163
 Alpha virt. eigenvalues --    0.75580   0.76783   0.77868   0.78190   0.79361
 Alpha virt. eigenvalues --    0.81121   0.81751   0.83022   0.83277   0.84178
 Alpha virt. eigenvalues --    0.84678   0.84820   0.86128   0.86813   0.87355
 Alpha virt. eigenvalues --    0.88128   0.89306   0.89991   0.90446   0.91682
 Alpha virt. eigenvalues --    0.94492   0.96708   0.97886   0.99608   1.00713
 Alpha virt. eigenvalues --    1.01612   1.02081   1.04133   1.04882   1.06556
 Alpha virt. eigenvalues --    1.08098   1.09667   1.12423   1.14555   1.15569
 Alpha virt. eigenvalues --    1.16121   1.21067   1.23132   1.25944   1.26902
 Alpha virt. eigenvalues --    1.28408   1.34930   1.35765   1.36660   1.37657
 Alpha virt. eigenvalues --    1.38646   1.40561   1.42235   1.43899   1.45205
 Alpha virt. eigenvalues --    1.46698   1.47017   1.48396   1.48894   1.50571
 Alpha virt. eigenvalues --    1.51142   1.53150   1.55128   1.56873   1.58219
 Alpha virt. eigenvalues --    1.58708   1.59694   1.60549   1.61583   1.62217
 Alpha virt. eigenvalues --    1.63074   1.66886   1.69189   1.70665   1.72055
 Alpha virt. eigenvalues --    1.72592   1.73602   1.75152   1.75407   1.76721
 Alpha virt. eigenvalues --    1.77910   1.79620   1.80062   1.80732   1.82626
 Alpha virt. eigenvalues --    1.83662   1.85432   1.87089   1.88828   1.91653
 Alpha virt. eigenvalues --    1.92661   1.93685   1.95276   1.95718   1.96305
 Alpha virt. eigenvalues --    1.99842   2.00642   2.02753   2.03032   2.05074
 Alpha virt. eigenvalues --    2.05872   2.06382   2.08902   2.11106   2.11782
 Alpha virt. eigenvalues --    2.13089   2.15473   2.16616   2.17315   2.18553
 Alpha virt. eigenvalues --    2.20059   2.22948   2.23795   2.25132   2.26107
 Alpha virt. eigenvalues --    2.28375   2.31770   2.33764   2.37075   2.39994
 Alpha virt. eigenvalues --    2.43420   2.47697   2.48718   2.51898   2.53638
 Alpha virt. eigenvalues --    2.56739   2.57356   2.58568   2.60260   2.62584
 Alpha virt. eigenvalues --    2.66290   2.69588   2.74630   2.75744   2.78846
 Alpha virt. eigenvalues --    2.81128   2.87147   2.89221   2.90046   2.93580
 Alpha virt. eigenvalues --    3.00836   3.05615   3.09570   3.13660   3.26563
 Alpha virt. eigenvalues --    3.39318   3.51628   3.53121   3.56351   3.59931
 Alpha virt. eigenvalues --    3.64225   3.75281   4.02189   4.51495
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    7.927171   0.340197   0.313271  -0.059918  -0.069273  -0.150399
     2  C    0.340197   9.784174  -0.006194  -0.658045   0.558796   0.368839
     3  H    0.313271  -0.006194   0.653968   0.029346  -0.073662   0.020214
     4  H   -0.059918  -0.658045   0.029346   1.804802  -0.112224   0.227005
     5  C   -0.069273   0.558796  -0.073662  -0.112224   4.589079   0.165632
     6  C   -0.150399   0.368839   0.020214   0.227005   0.165632  22.637873
     7  H    0.017902  -0.268016  -0.019750   0.086065   0.328111  -0.104696
     8  H    0.002318   0.381869   0.011642  -0.056840   0.234166  -0.138913
     9  H   -0.011319   0.072328  -0.002587  -0.053961   0.164531   0.196826
    10  C    0.187320  -2.027291  -0.074822  -0.057535  -0.253097 -10.712260
    11  C   -0.122280   0.259314   0.047071   0.026746   0.192212   5.807464
    12  C    0.024615  -0.198259  -0.014349  -0.005035  -0.119042  -6.640197
    13  C   -0.038520  -0.041316   0.012102   0.046305   0.164019   4.745671
    14  C   -0.016450  -2.925274  -0.028164   0.039446  -0.593247 -12.915950
    15  H   -0.103662   0.277811   0.012865   0.019403   0.028909   0.997441
    16  H   -0.000863   0.023183   0.001388   0.000640   0.004917  -0.182428
    17  H    0.001018  -0.018870  -0.000192   0.000811  -0.003047   0.059640
    18  H   -0.001208   0.031267   0.000175   0.001514   0.000338  -0.330341
    19  H    0.003811  -0.043016  -0.000934   0.002961   0.084618   1.020274
               7          8          9         10         11         12
     1  O    0.017902   0.002318  -0.011319   0.187320  -0.122280   0.024615
     2  C   -0.268016   0.381869   0.072328  -2.027291   0.259314  -0.198259
     3  H   -0.019750   0.011642  -0.002587  -0.074822   0.047071  -0.014349
     4  H    0.086065  -0.056840  -0.053961  -0.057535   0.026746  -0.005035
     5  C    0.328111   0.234166   0.164531  -0.253097   0.192212  -0.119042
     6  C   -0.104696  -0.138913   0.196826 -10.712260   5.807464  -6.640197
     7  H    1.624419  -0.283046  -0.362965   0.134930  -0.002461   0.014095
     8  H   -0.283046   1.713069  -0.297761   0.005040   0.051174  -0.033237
     9  H   -0.362965  -0.297761   1.461348  -0.129135  -0.009735  -0.003094
    10  C    0.134930   0.005040  -0.129135  26.621677 -10.634464   6.573271
    11  C   -0.002461   0.051174  -0.009735 -10.634464  19.166831  -7.842323
    12  C    0.014095  -0.033237  -0.003094   6.573271  -7.842323  15.691734
    13  C   -0.022234  -0.022666   0.029740  -7.693162   7.045868  -7.851420
    14  C    0.075844  -0.284817   0.046444   4.351214  -7.560120   6.222575
    15  H   -0.001446   0.003592   0.001748  -2.451747   0.741140  -0.161184
    16  H   -0.000481   0.000246   0.000471   1.134065  -1.719404   0.661719
    17  H    0.000661  -0.000416  -0.000194  -0.107492   0.744409  -1.506371
    18  H    0.000687  -0.001685   0.000444   0.121463  -0.233510   0.749358
    19  H    0.002120  -0.057485   0.006301   0.048404   0.016439  -0.149809
              13         14         15         16         17         18
     1  O   -0.038520  -0.016450  -0.103662  -0.000863   0.001018  -0.001208
     2  C   -0.041316  -2.925274   0.277811   0.023183  -0.018870   0.031267
     3  H    0.012102  -0.028164   0.012865   0.001388  -0.000192   0.000175
     4  H    0.046305   0.039446   0.019403   0.000640   0.000811   0.001514
     5  C    0.164019  -0.593247   0.028909   0.004917  -0.003047   0.000338
     6  C    4.745671 -12.915950   0.997441  -0.182428   0.059640  -0.330341
     7  H   -0.022234   0.075844  -0.001446  -0.000481   0.000661   0.000687
     8  H   -0.022666  -0.284817   0.003592   0.000246  -0.000416  -0.001685
     9  H    0.029740   0.046444   0.001748   0.000471  -0.000194   0.000444
    10  C   -7.693162   4.351214  -2.451747   1.134065  -0.107492   0.121463
    11  C    7.045868  -7.560120   0.741140  -1.719404   0.744409  -0.233510
    12  C   -7.851420   6.222575  -0.161184   0.661719  -1.506371   0.749358
    13  C   18.052076  -8.027530   0.071128  -0.284167   0.742553  -1.559362
    14  C   -8.027530  28.194725  -0.063583   0.115804  -0.141368   0.999800
    15  H    0.071128  -0.063583   2.588133  -0.111863  -0.024962   0.015251
    16  H   -0.284167   0.115804  -0.111863   1.961866  -0.074673  -0.030369
    17  H    0.742553  -0.141368  -0.024962  -0.074673   1.922381  -0.077378
    18  H   -1.559362   0.999800   0.015251  -0.030369  -0.077378   1.968110
    19  H    0.485856  -2.133443  -0.040614   0.013282  -0.023958  -0.148992
              19
     1  O    0.003811
     2  C   -0.043016
     3  H   -0.000934
     4  H    0.002961
     5  C    0.084618
     6  C    1.020274
     7  H    0.002120
     8  H   -0.057485
     9  H    0.006301
    10  C    0.048404
    11  C    0.016439
    12  C   -0.149809
    13  C    0.485856
    14  C   -2.133443
    15  H   -0.040614
    16  H    0.013282
    17  H   -0.023958
    18  H   -0.148992
    19  H    2.732791
 Mulliken charges:
               1
     1  O   -0.243731
     2  C    0.088504
     3  H    0.118613
     4  H   -0.281487
     5  C    0.708262
     6  C    0.928307
     7  H   -0.219739
     8  H   -0.226249
     9  H   -0.109429
    10  C    0.963623
    11  C    0.025628
    12  C    0.586954
    13  C    0.145059
    14  C    0.644094
    15  H   -0.798361
    16  H   -0.513332
    17  H   -0.492550
    18  H   -0.505561
    19  H   -0.818606
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.125119
     2  C   -0.192983
     5  C    0.152846
     6  C    0.928307
    10  C    0.165262
    11  C   -0.487704
    12  C    0.094405
    13  C   -0.360503
    14  C   -0.174513
 Electronic spatial extent (au):  <R**2>=           1276.2898
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3351    Y=             -0.9351    Z=              1.2601  Tot=              1.6046
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.5180   YY=            -50.5308   ZZ=            -57.0444
   XY=              2.2179   XZ=             -2.7636   YZ=              4.1650
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.8464   YY=              2.8336   ZZ=             -3.6800
   XY=              2.2179   XZ=             -2.7636   YZ=              4.1650
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             10.0027  YYY=              4.5153  ZZZ=             -1.4543  XYY=              1.3322
  XXY=             -4.8293  XXZ=             10.5549  XZZ=            -11.0504  YZZ=              1.3987
  YYZ=              3.5034  XYZ=             -5.1321
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1146.8063 YYYY=           -392.4718 ZZZZ=           -122.7029 XXXY=              5.2834
 XXXZ=             -9.9663 YYYX=            -12.2096 YYYZ=             14.1156 ZZZX=              2.2976
 ZZZY=              0.5065 XXYY=           -255.7167 XXZZ=           -228.6648 YYZZ=            -96.1406
 XXYZ=             21.8144 YYXZ=             -7.8573 ZZXY=             -3.1122
 N-N= 4.253601437934D+02 E-N=-1.747900171487D+03  KE= 3.834130688694D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:36:43 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0321   -1.0308        0.7835    0.7732
 2      1.0321    1.0308       -2.6427   -2.6432      -10.7000  -10.6753
 3     -0.7835   -0.7732       28.3981   28.3876        2.6419    2.6432
 4      2.6427    2.6432        0.0000    0.0000       -0.7776   -0.7732
 5    -17.6981  -17.7124        0.7776    0.7732       -1.0314   -1.0308
 6     -2.6419   -2.6432        1.0314    1.0308       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.0925    3.0925        2.3196    2.3196
 2      7.9295    7.9295        0.0000    0.0000        2.3196    2.3196
 3      7.9295    7.9295        3.0925    3.0925       -0.0000    0.0000
 4      3.0925    3.0925       -7.9295   -7.9295      -32.0258  -32.0258
 5     -2.3196   -2.3196       85.1629   85.1629        7.9295    7.9295
 6    -53.1371  -53.1371        2.3196    2.3196       -3.0925   -3.0925
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2179    0.0000        4.5456    4.1234       -2.8771   -3.0928
 2     -4.3055   -4.1234       10.2744   10.5726       41.9774   42.7010
 3      2.9521    3.0928     -113.3886 -113.5506      -10.4804  -10.5726
 4    -10.0198  -10.5726        0.0256    0.0000        2.9877    3.0928
 5     70.8876   70.8495       -2.4925   -3.0928        3.6118    4.1234
 6     10.6213   10.5726       -4.3399   -4.1234       -0.0642    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0553    0.0000        0.7878    0.6660      -10.2026  -10.2812
 2     -0.8491   -0.6660      -40.3334  -40.7314      -20.0570  -19.3111
 3     10.9304   10.2812      -15.4782  -15.2263       41.4613   40.7314
 4     40.8373   40.7314        0.1422    0.0000        8.9924   10.2812
 5     33.4944   34.5374      -11.5343  -10.2812        0.0106    0.6660
 6    -41.2964  -40.7314       -1.0628   -0.6660        0.4450    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.8117    9.5997       11.5207   11.8104       16.9811   17.0235
 2     77.7069   77.1621        3.8404    3.5764       15.9212   17.0235
 3     77.7543   77.1621       11.8437   11.8104       19.2817   20.1852
 4      8.0655    8.2340      -67.4308  -67.5624      -22.6255  -22.8870
 5      3.7571    3.1617      -31.4802  -31.7996       67.6115   67.5624
 6     52.6017   54.6866       -5.3147   -3.1617       -9.1249   -8.2340
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.4952                 4.1275                 0.1882
  Dep-P Fr= 1--      0.7496                 0.7213                 0.5299
  Dep-U Fr= 1--      0.8569                 0.8381                 0.6927
 Alpha2 Fr= 1--      0.0000                 0.0020                 0.0008
 Beta2  Fr= 1--      0.3564                 0.5765                 0.0217
 AlphaG Fr= 1--      0.0002                 0.0010                -0.0020
 Gamma2 Fr= 1--     -0.5998                -0.1848                 0.0631
 Delta2 Fr= 1--     -0.2667                -0.0535                 0.0433
 Raman1 Fr= 1--       9.981                 16.510                  0.753
 ROA1   Fr= 1--     -66.118                -19.458                  7.448
 CID1   Fr= 1--      -6.625                 -1.179                  9.894
 Raman2 Fr= 1--       4.276                  6.918                  0.261
 ROA2   Fr= 1--     -12.262                 -4.008                  1.168
 CID2   Fr= 1--      -2.868                 -0.579                  4.482
 Raman3 Fr= 1--       8.552                 13.837                  0.521
 ROA3   Fr= 1--     -66.118                -19.458                  7.448
 CID3   Fr= 1--      -7.731                 -1.406                 14.283
 RC180  Fr= 1--       0.714                  0.676                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1696                 0.3116                 1.9765
  Dep-P Fr= 1--      0.7131                 0.7390                 0.1000
  Dep-U Fr= 1--      0.8325                 0.8499                 0.1818
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0346
 Beta2  Fr= 1--      0.0235                 0.0441                 0.0599
 AlphaG Fr= 1--     -0.0010                -0.0011                 0.0056
 Gamma2 Fr= 1--     -0.0160                 0.0407                -0.0929
 Delta2 Fr= 1--     -0.0933                 0.1424                 0.0039
 Raman1 Fr= 1--       0.678                  1.247                  7.906
 ROA1   Fr= 1--      -4.526                  8.461                 -8.794
 CID1   Fr= 1--      -6.672                  6.787                 -1.112
 Raman2 Fr= 1--       0.282                  0.530                  0.719
 ROA2   Fr= 1--       0.362                 -0.163                 -2.260
 CID2   Fr= 1--       1.281                 -0.307                 -3.145
 Raman3 Fr= 1--       0.565                  1.059                  1.437
 ROA3   Fr= 1--      -4.526                  8.461                 -8.794
 CID3   Fr= 1--      -8.014                  7.986                 -6.118
 RC180  Fr= 1--       0.665                  0.700                 -0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.7538                 0.0109                 2.7858
  Dep-P Fr= 1--      0.5238                 0.4042                 0.1390
  Dep-U Fr= 1--      0.6875                 0.5757                 0.2441
 Alpha2 Fr= 1--      0.0077                 0.0001                 0.0443
 Beta2  Fr= 1--      0.2009                 0.0010                 0.1133
 AlphaG Fr= 1--     -0.0087                -0.0015                 0.0143
 Gamma2 Fr= 1--      0.3477                -0.0881                 0.1448
 Delta2 Fr= 1--      0.0660                -0.0256                -0.1318
 Raman1 Fr= 1--       7.015                  0.044                 11.143
 ROA1   Fr= 1--      35.495                 -9.274                  9.683
 CID1   Fr= 1--       5.060               -212.861                  0.869
 Raman2 Fr= 1--       2.411                  0.013                  1.360
 ROA2   Fr= 1--       7.818                 -1.909                  4.530
 CID2   Fr= 1--       3.242               -152.225                  3.331
 Raman3 Fr= 1--       4.823                  0.025                  2.720
 ROA3   Fr= 1--      35.495                 -9.274                  9.683
 CID3   Fr= 1--       7.360               -369.741                  3.559
 RC180  Fr= 1--       0.375                  0.151                 -0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      2.1035                 1.1927                 4.1622
  Dep-P Fr= 1--      0.2531                 0.7478                 0.7491
  Dep-U Fr= 1--      0.4040                 0.8557                 0.8566
 Alpha2 Fr= 1--      0.0247                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1416                 0.1701                 0.5942
 AlphaG Fr= 1--     -0.0137                -0.0005                 0.0008
 Gamma2 Fr= 1--     -0.3329                -0.0172                 0.1372
 Delta2 Fr= 1--     -0.2900                 0.0529                 0.0117
 Raman1 Fr= 1--       8.414                  4.771                 16.649
 ROA1   Fr= 1--     -41.242                  0.042                 13.543
 CID1   Fr= 1--      -4.902                  0.009                  0.813
 Raman2 Fr= 1--       1.699                  2.041                  7.131
 ROA2   Fr= 1--      -5.670                 -0.835                  3.198
 CID2   Fr= 1--      -3.336                 -0.409                  0.449
 Raman3 Fr= 1--       3.399                  4.082                 14.261
 ROA3   Fr= 1--     -41.242                  0.042                 13.543
 CID3   Fr= 1--     -12.134                  0.010                  0.950
 RC180  Fr= 1--      -0.192                  0.711                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0637                10.9132                 5.2300
  Dep-P Fr= 1--      0.5085                 0.0424                 0.1664
  Dep-U Fr= 1--      0.6742                 0.0814                 0.2854
 Alpha2 Fr= 1--      0.0003                 0.2195                 0.0775
 Beta2  Fr= 1--      0.0072                 0.1481                 0.2487
 AlphaG Fr= 1--      0.0026                -0.0568                 0.0092
 Gamma2 Fr= 1--      0.0536                 1.2371                 0.9040
 Delta2 Fr= 1--     -0.0245                 0.3669                 0.0825
 Raman1 Fr= 1--       0.255                 43.653                 20.920
 ROA1   Fr= 1--       4.359                130.499                 89.420
 CID1   Fr= 1--      17.099                  2.989                  4.274
 Raman2 Fr= 1--       0.086                  1.777                  2.985
 ROA2   Fr= 1--       1.482                 26.755                 21.035
 CID2   Fr= 1--      17.248                 15.056                  7.048
 Raman3 Fr= 1--       0.172                  3.554                  5.970
 ROA3   Fr= 1--       4.359                130.499                 89.420
 CID3   Fr= 1--      25.362                 36.719                 14.979
 RC180  Fr= 1--       0.348                 -0.837                 -0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.1301                 2.4028                 0.9696
  Dep-P Fr= 1--      0.7490                 0.7305                 0.4093
  Dep-U Fr= 1--      0.8565                 0.8443                 0.5808
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0069
 Beta2  Fr= 1--      0.1613                 0.3381                 0.0939
 AlphaG Fr= 1--      0.0000                -0.0083                -0.0055
 Gamma2 Fr= 1--     -0.2008                -2.4632                -0.9166
 Delta2 Fr= 1--     -0.0332                -1.4766                 0.2113
 Raman1 Fr= 1--       4.520                  9.611                  3.878
 ROA1   Fr= 1--     -20.340               -283.716                -81.231
 CID1   Fr= 1--      -4.500                -29.519                -20.945
 Raman2 Fr= 1--       1.936                  4.057                  1.126
 ROA2   Fr= 1--      -4.554                -47.304                -23.688
 CID2   Fr= 1--      -2.352                -11.659                -21.031
 Raman3 Fr= 1--       3.871                  8.114                  2.253
 ROA3   Fr= 1--     -20.340               -283.716                -81.231
 CID3   Fr= 1--      -5.254                -34.964                -36.060
 RC180  Fr= 1--       0.713                  0.689                  0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.1390                 0.3003                48.9173
  Dep-P Fr= 1--      0.1516                 0.1121                 0.0457
  Dep-U Fr= 1--      0.2634                 0.2016                 0.0874
 Alpha2 Fr= 1--      0.0021                 0.0051                 0.9762
 Beta2  Fr= 1--      0.0061                 0.0101                 0.7123
 AlphaG Fr= 1--      0.0067                 0.0062                 0.0349
 Gamma2 Fr= 1--      0.2485                 0.2467                 0.0474
 Delta2 Fr= 1--     -0.0681                -0.0718                 0.0413
 Raman1 Fr= 1--       0.556                  1.201                195.669
 ROA1   Fr= 1--      21.675                 21.383                  5.873
 CID1   Fr= 1--      38.991                 17.803                  0.030
 Raman2 Fr= 1--       0.073                  0.121                  8.548
 ROA2   Fr= 1--       6.509                  6.495                  0.807
 CID2   Fr= 1--      88.919                 53.640                  0.094
 Raman3 Fr= 1--       0.146                  0.242                 17.095
 ROA3   Fr= 1--      21.675                 21.383                  5.873
 CID3   Fr= 1--     148.056                 88.301                  0.344
 RC180  Fr= 1--      -0.473                 -0.597                 -0.825
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.1445                20.8493                 6.4242
  Dep-P Fr= 1--      0.4050                 0.0393                 0.3148
  Dep-U Fr= 1--      0.5765                 0.0757                 0.4789
 Alpha2 Fr= 1--      0.0302                 0.4224                 0.0630
 Beta2  Fr= 1--      0.3982                 0.2631                 0.5128
 AlphaG Fr= 1--      0.0104                -0.0117                -0.0306
 Gamma2 Fr= 1--      0.6967                -0.5674                -0.4162
 Delta2 Fr= 1--      1.1745                -0.5235                 0.5636
 Raman1 Fr= 1--      16.578                 83.397                 25.697
 ROA1   Fr= 1--     104.466                -71.217                -21.922
 CID1   Fr= 1--       6.301                 -0.854                 -0.853
 Raman2 Fr= 1--       4.778                  3.157                  6.153
 ROA2   Fr= 1--       7.324                 -9.429                -14.498
 CID2   Fr= 1--       1.533                 -2.987                 -2.356
 Raman3 Fr= 1--       9.557                  6.313                 12.306
 ROA3   Fr= 1--     104.466                -71.217                -21.922
 CID3   Fr= 1--      10.931                -11.280                 -1.781
 RC180  Fr= 1--       0.153                 -0.849                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      4.9188                 5.5574                 3.9120
  Dep-P Fr= 1--      0.1958                 0.1136                 0.7492
  Dep-U Fr= 1--      0.3275                 0.2040                 0.8566
 Alpha2 Fr= 1--      0.0675                 0.0941                 0.0001
 Beta2  Fr= 1--      0.2685                 0.1889                 0.5585
 AlphaG Fr= 1--      0.0026                -0.0029                -0.0006
 Gamma2 Fr= 1--      0.5873                -0.8555                 0.1206
 Delta2 Fr= 1--      0.3202                -0.2833                 0.1453
 Raman1 Fr= 1--      19.675                 22.229                 15.648
 ROA1   Fr= 1--      66.632                -91.190                 16.226
 CID1   Fr= 1--       3.387                 -4.102                  1.037
 Raman2 Fr= 1--       3.222                  2.267                  6.702
 ROA2   Fr= 1--      11.535                -18.265                  1.732
 CID2   Fr= 1--       3.580                 -8.057                  0.258
 Raman3 Fr= 1--       6.444                  4.534                 13.404
 ROA3   Fr= 1--      66.632                -91.190                 16.226
 CID3   Fr= 1--      10.340                -20.113                  1.210
 RC180  Fr= 1--      -0.345                 -0.592                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      6.9837                10.6909                 5.7418
  Dep-P Fr= 1--      0.3614                 0.0778                 0.0572
  Dep-U Fr= 1--      0.5309                 0.1443                 0.1082
 Alpha2 Fr= 1--      0.0591                 0.1976                 0.1115
 Beta2  Fr= 1--      0.6179                 0.2572                 0.1035
 AlphaG Fr= 1--      0.0169                -0.0547                -0.0246
 Gamma2 Fr= 1--     -0.1589                -0.7549                -0.2740
 Delta2 Fr= 1--     -0.0418                 0.2251                 0.3485
 Raman1 Fr= 1--      27.935                 42.764                 22.967
 ROA1   Fr= 1--     -16.594                -65.265                -15.156
 CID1   Fr= 1--      -0.594                 -1.526                 -0.660
 Raman2 Fr= 1--       7.415                  3.086                  1.242
 ROA2   Fr= 1--      -3.480                -19.918                 -9.365
 CID2   Fr= 1--      -0.469                 -6.455                 -7.538
 Raman3 Fr= 1--      14.830                  6.172                  2.485
 ROA3   Fr= 1--     -16.594                -65.265                -15.156
 CID3   Fr= 1--      -1.119                -10.575                 -6.100
 RC180  Fr= 1--       0.062                 -0.711                 -0.784
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--      8.4138                 2.8480                 0.8446
  Dep-P Fr= 1--      0.2660                 0.3866                 0.3253
  Dep-U Fr= 1--      0.4202                 0.5576                 0.4910
 Alpha2 Fr= 1--      0.0953                 0.0221                 0.0080
 Beta2  Fr= 1--      0.5892                 0.2647                 0.0691
 AlphaG Fr= 1--      0.0177                -0.0305                -0.0128
 Gamma2 Fr= 1--      0.3238                -0.6660                -0.1200
 Delta2 Fr= 1--     -0.7935                -0.6833                -0.0547
 Raman1 Fr= 1--      33.655                 11.392                  3.378
 ROA1   Fr= 1--       5.692                -85.804                -13.274
 CID1   Fr= 1--       0.169                 -7.532                 -3.929
 Raman2 Fr= 1--       7.070                  3.176                  0.829
 ROA2   Fr= 1--      14.118                -10.518                 -2.443
 CID2   Fr= 1--       1.997                 -3.312                 -2.946
 Raman3 Fr= 1--      14.141                  6.352                  1.659
 ROA3   Fr= 1--       5.692                -85.804                -13.274
 CID3   Fr= 1--       0.402                -13.507                 -8.003
 RC180  Fr= 1--      -0.160                  0.115                 -0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      1.0979                 7.3295                 1.7512
  Dep-P Fr= 1--      0.7491                 0.5443                 0.6632
  Dep-U Fr= 1--      0.8566                 0.7049                 0.7975
 Alpha2 Fr= 1--      0.0000                 0.0289                 0.0027
 Beta2  Fr= 1--      0.1567                 0.8611                 0.2328
 AlphaG Fr= 1--     -0.0001                -0.0320                 0.0135
 Gamma2 Fr= 1--     -0.3370                -1.1551                 4.0803
 Delta2 Fr= 1--     -0.2241                 0.8797                -1.5750
 Raman1 Fr= 1--       4.392                 29.318                  7.005
 ROA1   Fr= 1--     -39.527                -82.743                341.310
 CID1   Fr= 1--      -9.001                 -2.822                 48.724
 Raman2 Fr= 1--       1.881                 10.334                  2.793
 ROA2   Fr= 1--      -6.295                -34.760                110.528
 CID2   Fr= 1--      -3.347                 -3.364                 39.571
 Raman3 Fr= 1--       3.762                 20.667                  5.586
 ROA3   Fr= 1--     -39.527                -82.743                341.310
 CID3   Fr= 1--     -10.508                 -4.004                 61.098
 RC180  Fr= 1--       0.713                  0.410                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      3.5553                 5.0928                 0.3997
  Dep-P Fr= 1--      0.7493                 0.7319                 0.6498
  Dep-U Fr= 1--      0.8567                 0.8452                 0.7878
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0007
 Beta2  Fr= 1--      0.5076                 0.7174                 0.0525
 AlphaG Fr= 1--     -0.0011                 0.0176                 0.0021
 Gamma2 Fr= 1--     -2.3180                 1.5221                -0.4285
 Delta2 Fr= 1--      0.0578                 0.8504                 0.1986
 Raman1 Fr= 1--      14.221                 20.371                  1.599
 ROA1   Fr= 1--    -220.679                173.334                -34.779
 CID1   Fr= 1--     -15.518                  8.509                -21.755
 Raman2 Fr= 1--       6.091                  8.609                  0.630
 ROA2   Fr= 1--     -56.095                 29.728                -11.872
 CID2   Fr= 1--      -9.209                  3.453                -18.854
 Raman3 Fr= 1--      12.183                 17.218                  1.259
 ROA3   Fr= 1--    -220.679                173.334                -34.779
 CID3   Fr= 1--     -18.114                 10.067                -27.616
 RC180  Fr= 1--       0.713                  0.690                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      8.2101                32.2447               239.0489
  Dep-P Fr= 1--      0.7208                 0.6466                 0.0373
  Dep-U Fr= 1--      0.8378                 0.7854                 0.0719
 Alpha2 Fr= 1--      0.0041                 0.0600                 4.8667
 Beta2  Fr= 1--      1.1464                 4.2208                 2.8639
 AlphaG Fr= 1--      0.0197                 0.0157                 0.5972
 Gamma2 Fr= 1--     -0.5218                -0.8420                 5.8296
 Delta2 Fr= 1--     -0.1552                 0.2958                 7.0473
 Raman1 Fr= 1--      32.840                128.979                956.196
 ROA1   Fr= 1--     -55.054                -71.361                785.152
 CID1   Fr= 1--      -1.676                 -0.553                  0.821
 Raman2 Fr= 1--      13.756                 50.649                 34.367
 ROA2   Fr= 1--     -11.281                -22.574                 83.531
 CID2   Fr= 1--      -0.820                 -0.446                  2.431
 Raman3 Fr= 1--      27.513                101.299                 68.734
 ROA3   Fr= 1--     -55.054                -71.361                785.152
 CID3   Fr= 1--      -2.001                 -0.704                 11.423
 RC180  Fr= 1--       0.676                  0.571                 -0.856
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     53.6788               103.8176                78.8465
  Dep-P Fr= 1--      0.5578                 0.3265                 0.6838
  Dep-U Fr= 1--      0.7162                 0.4922                 0.8122
 Alpha2 Fr= 1--      0.1962                 0.9822                 0.0919
 Beta2  Fr= 1--      6.4071                 8.5172                10.6732
 AlphaG Fr= 1--      0.6078                -0.0092                -0.0396
 Gamma2 Fr= 1--      8.5536               -12.9143                -1.8056
 Delta2 Fr= 1--      0.8643               -11.1047                 1.3729
 Raman1 Fr= 1--     214.715                415.271                315.386
 ROA1   Fr= 1--     848.809              -1595.123               -129.401
 CID1   Fr= 1--       3.953                 -3.841                 -0.410
 Raman2 Fr= 1--      76.885                102.207                128.078
 ROA2   Fr= 1--     198.373               -221.106                -54.317
 CID2   Fr= 1--       2.580                 -2.163                 -0.424
 Raman3 Fr= 1--     153.769                204.413                256.157
 ROA3   Fr= 1--     848.809              -1595.123               -129.401
 CID3   Fr= 1--       5.520                 -7.803                 -0.505
 RC180  Fr= 1--       0.432                 -0.016                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     41.7532               113.0067                81.1338
  Dep-P Fr= 1--      0.5457                 0.5917                 0.6720
  Dep-U Fr= 1--      0.7061                 0.7435                 0.8038
 Alpha2 Fr= 1--      0.1635                 0.3329                 0.1122
 Beta2  Fr= 1--      4.9137                14.0037                10.8695
 AlphaG Fr= 1--     -0.1402                -0.0701                -0.1073
 Gamma2 Fr= 1--     -1.2724                 3.0068                -0.5480
 Delta2 Fr= 1--      0.6494                 1.1168                 1.8269
 Raman1 Fr= 1--     167.013                452.027                324.535
 ROA1   Fr= 1--    -101.366                324.388                  5.854
 CID1   Fr= 1--      -0.607                  0.718                  0.018
 Raman2 Fr= 1--      58.964                168.044                130.434
 ROA2   Fr= 1--     -35.732                 63.228                -27.767
 CID2   Fr= 1--      -0.606                  0.376                 -0.213
 Raman3 Fr= 1--     117.928                336.088                260.868
 ROA3   Fr= 1--    -101.366                324.388                  5.854
 CID3   Fr= 1--      -0.860                  0.965                  0.022
 RC180  Fr= 1--       0.412                  0.487                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    159.0633               197.0883                53.8205
  Dep-P Fr= 1--      0.1339                 0.1163                 0.1527
  Dep-U Fr= 1--      0.2362                 0.2083                 0.2649
 Alpha2 Fr= 1--      2.5605                 3.3154                 0.8264
 Beta2  Fr= 1--      6.2630                 6.8420                 2.3761
 AlphaG Fr= 1--     -0.3599                 0.2951                 1.1243
 Gamma2 Fr= 1--     -1.7101                 2.5568                 7.3305
 Delta2 Fr= 1--     -3.9527                 2.4149                 1.7000
 Raman1 Fr= 1--     636.253                788.353                215.282
 ROA1   Fr= 1--    -290.659                322.729                758.124
 CID1   Fr= 1--      -0.457                  0.409                  3.522
 Raman2 Fr= 1--      75.156                 82.104                 28.513
 ROA2   Fr= 1--      -9.422                 42.044                162.331
 CID2   Fr= 1--      -0.125                  0.512                  5.693
 Raman3 Fr= 1--     150.312                164.208                 57.027
 ROA3   Fr= 1--    -290.659                322.729                758.124
 CID3   Fr= 1--      -1.934                  1.965                 13.294
 RC180  Fr= 1--      -0.528                 -0.583                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128753D+03  0.154640D+01  0.206168D+01
      2   0.154640D+01  0.107403D+03  0.528632D+01
      3   0.206168D+01  0.528632D+01  0.719779D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.785363D+00  0.654187D+00  0.758163D+01
      2   0.962699D+01  0.887017D+01  0.326295D+00
      3  -0.691561D+01 -0.410577D+02 -0.839852D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.976201D+02  0.575456D+01  0.713416D+01
      2  -0.440102D+02 -0.150855D+02 -0.130510D+02
      3  -0.536099D+02  0.933098D+01  0.591689D+01
      4  -0.280383D+02  0.737540D+02  0.210422D+02
      5   0.273726D+02  0.225277D+02 -0.340810D+01
      6   0.811328D+01  0.103491D+02 -0.162279D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.275219D+01  0.246095D+01 -0.692639D+00  0.937104D+00 -0.237786D+01
      2   0.246095D+01 -0.134280D+01  0.958147D+00 -0.237786D+01  0.267470D+01
      3  -0.692639D+00  0.958147D+00  0.174829D+00  0.121298D+01 -0.218357D+01
                 6             7             8             9            10 
      1   0.121298D+01 -0.165721D+01  0.138999D+01 -0.546443D+00  0.304504D+01
      2  -0.218357D+01  0.138999D+01 -0.269014D+01 -0.636263D+00  0.166230D+01
      3  -0.173947D+01 -0.546443D+00 -0.636263D+00 -0.465973D+01 -0.715442D-01
                11            12            13            14            15 
      1   0.166230D+01 -0.715442D-01  0.636361D+01  0.398348D+01 -0.127127D+01
      2   0.169508D+01 -0.101982D+01  0.398348D+01  0.177308D+00  0.519619D+00
      3  -0.101982D+01  0.135747D+01 -0.127127D+01  0.519619D+00  0.474912D+01
                16            17            18            19            20 
      1  -0.662095D+00 -0.146455D+01  0.410506D+01 -0.624049D+00  0.410468D+00
      2  -0.146455D+01 -0.553713D+00  0.342722D+01  0.410468D+00 -0.460849D+00
      3   0.410506D+01  0.342722D+01  0.544939D+01  0.364851D+00 -0.228944D+00
                21            22            23            24            25 
      1   0.364851D+00  0.105797D+01 -0.767907D+00 -0.455711D+00  0.183198D+01
      2  -0.228944D+00 -0.767907D+00  0.218409D+01  0.107367D+01 -0.102866D+01
      3  -0.484194D+00 -0.455711D+00  0.107367D+01  0.160052D+01 -0.117198D+01
                26            27            28            29            30 
      1  -0.102866D+01 -0.117198D+01 -0.188953D+01 -0.759457D+00 -0.175211D+01
      2   0.263501D+01  0.209007D+01 -0.759457D+00 -0.563806D+00 -0.244948D+00
      3   0.209007D+01  0.424809D+01 -0.175211D+01 -0.244948D+00 -0.156447D+01
                31            32            33            34            35 
      1  -0.261507D+01 -0.156400D+01 -0.632449D+00 -0.397335D+01 -0.585269D+00
      2  -0.156400D+01 -0.127897D+01 -0.152752D+01 -0.585269D+00 -0.148484D+01
      3  -0.632449D+00 -0.152752D+01 -0.241550D+01 -0.296661D+01 -0.185672D+01
                36            37            38            39            40 
      1  -0.296661D+01  0.855044D+01  0.814575D+00  0.170691D+01 -0.265921D+01
      2  -0.185672D+01  0.814575D+00 -0.281141D+01  0.859896D+00 -0.358187D+01
      3  -0.773867D+01  0.170691D+01  0.859896D+00 -0.180241D+01  0.159107D+01
                41            42            43            44            45 
      1  -0.358187D+01  0.159107D+01  0.526615D+01  0.219155D+01 -0.221795D+01
      2   0.286365D+01  0.535452D+00  0.219155D+01  0.108646D+01 -0.307456D+01
      3   0.535452D+00 -0.347684D+01 -0.221795D+01 -0.307456D+01 -0.461486D+01
                46            47            48            49            50 
      1  -0.158038D+02 -0.231827D+01 -0.513704D+00 -0.317147D+01  0.185414D+01
      2  -0.231827D+01 -0.272635D+01 -0.592556D-01  0.185414D+01 -0.140784D+00
      3  -0.513704D+00 -0.592556D-01 -0.217326D+01  0.956797D+00  0.152297D-01
                51            52            53            54            55 
      1   0.956797D+00 -0.726219D+00  0.835951D+00 -0.355149D+01 -0.463819D+00
      2   0.152297D-01  0.835951D+00 -0.125931D+00 -0.537320D+00  0.221440D+00
      3  -0.425507D+00 -0.355149D+01 -0.537320D+00 -0.159453D+01  0.696986D+00
                56            57            58            59            60 
      1   0.221440D+00  0.696986D+00  0.995912D+00  0.225386D+00 -0.468949D+00
      2   0.603979D+00 -0.770983D-01  0.225386D+00  0.568512D+00  0.114247D+01
      3  -0.770983D-01  0.106954D+01 -0.468949D+00  0.114247D+01  0.225068D+01
                61            62            63            64            65 
      1   0.111649D+01  0.386667D-01 -0.618838D+00  0.866694D+00 -0.904725D+00
      2   0.386667D-01  0.139522D+01  0.778695D+00 -0.904725D+00  0.155256D+01
      3  -0.618838D+00  0.778695D+00  0.744328D+01 -0.367931D+00 -0.350455D+00
                66            67            68            69            70 
      1  -0.367931D+00 -0.179042D+01  0.524349D+00  0.918915D-01 -0.754090D+00
      2  -0.350455D+00  0.524349D+00 -0.741065D+01  0.618921D+00 -0.288285D+00
      3   0.653225D+00  0.918915D-01  0.618921D+00 -0.103632D+01  0.305489D+00
                71            72            73            74            75 
      1  -0.288285D+00  0.305489D+00 -0.137036D+02 -0.229325D+01  0.434060D-01
      2   0.253121D+00 -0.738899D+00 -0.229325D+01 -0.136396D+01  0.116733D+00
      3  -0.738899D+00  0.611364D+00  0.434060D-01  0.116733D+00 -0.121981D+01
                76            77            78            79            80 
      1  -0.619519D+00 -0.122264D+01 -0.199838D+00 -0.213992D+01 -0.479591D+00
      2  -0.122264D+01 -0.875706D+00 -0.966222D-01 -0.479591D+00 -0.571956D+00
      3  -0.199838D+00 -0.966222D-01  0.303613D+00 -0.109258D+01  0.788573D-01
                81            82            83            84            85 
      1  -0.109258D+01  0.427980D+01 -0.107641D+01  0.378123D+00  0.758209D+01
      2   0.788573D-01 -0.107641D+01 -0.311163D+01 -0.791163D+00  0.147252D+00
      3  -0.512360D-01  0.378123D+00 -0.791163D+00 -0.216609D+01  0.571206D-01
                86            87            88            89            90 
      1   0.147252D+00  0.571206D-01  0.253288D+01 -0.245353D+00 -0.170272D+01
      2   0.159347D+01 -0.494450D+00 -0.245353D+00 -0.114345D+01  0.336208D+01
      3  -0.494450D+00  0.211664D+01 -0.170272D+01  0.336208D+01  0.721263D+00
                91            92            93            94            95 
      1  -0.322092D+01 -0.160608D+00 -0.566284D+00  0.508800D+01 -0.932895D-01
      2  -0.160608D+00  0.283917D+01 -0.314845D+00 -0.932895D-01  0.115357D+01
      3  -0.566284D+00 -0.314845D+00  0.119133D+01 -0.254362D+00 -0.894497D+00
                96            97            98            99           100 
      1  -0.254362D+00  0.968558D-01 -0.100251D+01  0.212846D+01  0.545067D+01
      2  -0.894497D+00 -0.100251D+01 -0.941692D+00  0.373309D+01  0.299417D+00
      3   0.237663D+01  0.212846D+01  0.373309D+01  0.243020D+01 -0.688411D+00
               101           102           103           104           105 
      1   0.299417D+00 -0.688411D+00  0.683380D+00 -0.628295D+00 -0.110971D+01
      2   0.322801D+01 -0.421688D-01 -0.628295D+00 -0.440472D-01 -0.372975D+00
      3  -0.421688D-01  0.325220D+01 -0.110971D+01 -0.372975D+00 -0.422188D-01
               106           107           108           109           110 
      1  -0.202204D+00 -0.104627D+01  0.515338D+01 -0.229112D+01 -0.179403D+00
      2  -0.104627D+01  0.404732D+00  0.711275D-01 -0.179403D+00  0.247183D+01
      3   0.515338D+01  0.711275D-01  0.137680D+01 -0.482411D+00  0.772673D+00
               111           112           113           114           115 
      1  -0.482411D+00 -0.535153D+01 -0.560060D+00 -0.773798D+00 -0.184779D+01
      2   0.772673D+00 -0.560060D+00 -0.873061D+00  0.106662D+01 -0.252973D+00
      3   0.173646D+01 -0.773798D+00  0.106662D+01 -0.249969D+01  0.273628D+01
               116           117           118           119           120 
      1  -0.252973D+00  0.273628D+01  0.359462D+01  0.187131D+01  0.645265D+00
      2   0.149113D+01 -0.328430D+01  0.187131D+01 -0.280770D+01  0.103888D+00
      3  -0.328430D+01 -0.102877D+01  0.645265D+00  0.103888D+00 -0.142587D+01
               121           122           123           124           125 
      1  -0.638728D+01 -0.744884D+00  0.287966D+00  0.171849D-01  0.936210D+00
      2  -0.744884D+00 -0.143345D+01  0.932565D+00  0.936210D+00  0.639600D+00
      3   0.287966D+00  0.932565D+00 -0.164807D+01 -0.924184D+00 -0.314603D+01
               126           127           128           129           130 
      1  -0.924184D+00 -0.286554D+01  0.219980D+01  0.120906D-01  0.225454D+01
      2  -0.314603D+01  0.219980D+01 -0.261760D+01 -0.891475D-01 -0.283448D+01
      3  -0.236967D+01  0.120906D-01 -0.891475D-01 -0.243784D+00 -0.251804D+00
               131           132           133           134           135 
      1  -0.283448D+01 -0.251804D+00 -0.248083D+00 -0.864571D-01  0.385947D-01
      2   0.705613D+01  0.480388D+00 -0.864571D-01  0.559636D+00  0.147860D+00
      3   0.480388D+00  0.723667D+00  0.385947D-01  0.147860D+00 -0.492873D-01
               136           137           138           139           140 
      1   0.290178D+01  0.302545D+01  0.731135D+00  0.267924D+01  0.407708D+01
      2   0.302545D+01  0.323654D+01  0.738168D+00  0.407708D+01  0.869932D+01
      3   0.731135D+00  0.738168D+00  0.570105D+00  0.826553D+00  0.163782D+01
               141           142           143           144           145 
      1   0.826553D+00  0.762471D+00  0.103689D+01  0.308276D+00  0.131698D+02
      2   0.163782D+01  0.103689D+01  0.189580D+01  0.402383D+00  0.377218D+00
      3   0.111725D+01  0.308276D+00  0.402383D+00  0.275657D+00  0.131091D+01
               146           147           148           149           150 
      1   0.377218D+00  0.131091D+01  0.297115D+00  0.156514D+01  0.322481D+00
      2   0.755721D+00  0.231240D-01  0.156514D+01  0.135251D+00  0.170818D+00
      3   0.231240D-01  0.999841D+00  0.322481D+00  0.170818D+00  0.749145D-01
               151           152           153           154           155 
      1   0.143301D+01  0.351518D+00  0.101232D+00  0.403363D+01 -0.356722D+01
      2   0.351518D+00  0.953379D-01  0.561502D-02 -0.356722D+01  0.361852D+01
      3   0.101232D+00  0.561502D-02  0.123822D+00 -0.334879D+00  0.264911D+00
               156           157           158           159           160 
      1  -0.334879D+00 -0.338826D+01  0.447819D+01  0.631811D+00 -0.263253D+00
      2   0.264911D+00  0.447819D+01 -0.759946D+01 -0.918191D+00  0.479982D+00
      3   0.520587D+00  0.631811D+00 -0.918191D+00 -0.857422D+00  0.125150D+00
               161           162           163           164           165 
      1   0.479982D+00  0.125150D+00 -0.227792D+01 -0.208359D+01 -0.419762D+00
      2  -0.110523D+01 -0.253628D+00 -0.208359D+01 -0.219532D+01 -0.619693D+00
      3  -0.253628D+00 -0.168728D+00 -0.419762D+00 -0.619693D+00 -0.445712D+00
               166           167           168           169           170 
      1  -0.195620D+01 -0.247972D+01 -0.560785D+00 -0.582810D+00 -0.780831D+00
      2  -0.247972D+01 -0.744986D+01 -0.170575D+01 -0.780831D+00 -0.183911D+01
      3  -0.560785D+00 -0.170575D+01 -0.117200D+01 -0.209134D+00 -0.569272D+00
               171 
      1  -0.209134D+00
      2  -0.569272D+00
      3  -0.404390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.304522D+00 -0.259781D+00  0.751541D+00  0.797363D-01 -0.310294D+00
      2  -0.635250D+00 -0.187853D+00  0.452526D+01 -0.941134D+00  0.378076D+01
      3   0.308957D+01 -0.891735D+01  0.101983D+01  0.827299D+00  0.769288D+01
                 6             7             8             9            10 
      1  -0.105886D+01 -0.391946D+01  0.628286D+01  0.791206D+01 -0.221762D+01
      2   0.324558D+01 -0.108220D+01  0.374718D+01  0.113290D+02  0.126082D+01
      3  -0.524189D+01  0.179532D+00 -0.598399D+01 -0.238799D+01  0.645007D+01
                11            12            13            14            15 
      1  -0.144852D+00  0.974725D+00 -0.122216D+01 -0.238547D+00  0.210479D+00
      2   0.153237D+01 -0.155799D+01  0.431032D+01  0.110942D+01 -0.758045D+01
      3   0.281324D+01 -0.104645D+00  0.141009D+02 -0.612404D+01  0.118222D+01
                16            17            18            19            20 
      1   0.413789D+01  0.516040D+01 -0.618285D+00 -0.443478D+00  0.397599D+00
      2  -0.151343D+02 -0.762884D+01 -0.868977D+01 -0.195217D+01  0.750320D+00
      3  -0.925606D+00 -0.147421D+01  0.685779D+01  0.212409D+01 -0.169633D+00
                21            22            23            24            25 
      1   0.495825D+00  0.922376D+00 -0.271860D+01 -0.371415D+01  0.276319D+01
      2   0.979926D+00  0.772191D+00 -0.309916D+01 -0.434563D+01  0.811546D+00
      3  -0.938469D-02  0.398413D+00  0.444895D+01  0.274599D+01 -0.144493D+00
                26            27            28            29            30 
      1  -0.289632D+01 -0.860439D+01 -0.561513D+00  0.105344D+01 -0.594211D+00
      2  -0.587813D+01 -0.109323D+02  0.176449D+01  0.344955D+00  0.305460D+01
      3   0.659915D+01  0.511277D+01 -0.166836D+01 -0.333268D+01 -0.325651D+00
                31            32            33            34            35 
      1   0.103591D+01  0.873496D+00 -0.735864D+00 -0.100276D+01  0.236102D+01
      2  -0.384885D+00  0.161816D+01  0.440958D+01  0.153519D+01  0.295024D+01
      3  -0.181678D+01 -0.164863D+01 -0.329180D+01 -0.106384D+00 -0.309026D+01
                36            37            38            39            40 
      1  -0.142538D+01  0.388993D+01 -0.220224D+01 -0.264341D+01  0.741700D+00
      2   0.128322D+02 -0.117773D+02 -0.390944D+01  0.711934D+01 -0.573532D+01
      3  -0.386325D+01 -0.836794D+01 -0.137165D+02  0.107590D+00 -0.775905D+01
                41            42            43            44            45 
      1   0.649275D+01 -0.711063D+01 -0.115061D+01 -0.256667D+01 -0.755596D+01
      2  -0.171560D+00  0.823340D+01  0.198040D+01  0.764489D+01  0.134701D+02
      3   0.158711D+02 -0.159393D-01  0.212254D+01 -0.422936D+00 -0.699407D+01
                46            47            48            49            50 
      1   0.851791D+00 -0.703563D+00 -0.391788D+00 -0.328978D+01 -0.167732D+01
      2   0.117631D-01 -0.160797D+01 -0.946557D+00 -0.111302D+01  0.585766D+00
      3  -0.699068D+01  0.502961D+01  0.622551D+00  0.136430D+02 -0.161032D-01
                51            52            53            54            55 
      1   0.184076D+01  0.934080D+00  0.102198D+02  0.219212D+01  0.117262D+01
      2   0.113508D+01 -0.130620D+02  0.828919D+00  0.186040D+00 -0.219713D+01
      3   0.323149D+00 -0.660230D+00  0.217352D+01 -0.103151D+01  0.121283D+01
                56            57            58            59            60 
      1   0.112627D+01  0.102643D+01  0.175932D+00  0.273802D+01  0.234199D+01
      2  -0.193865D+00 -0.265860D+01 -0.318824D+00 -0.314031D+01 -0.570971D+01
      3   0.114901D+01 -0.780335D+00  0.135154D+01  0.123052D+01  0.309070D+01
                61            62            63            64            65 
      1  -0.451425D+00  0.528698D+01  0.986440D+01 -0.215539D+01  0.144527D+01
      2  -0.252166D+01 -0.270820D+01 -0.187707D+02 -0.232334D+00  0.122404D+01
      3  -0.108215D+01  0.389027D+01  0.294106D+01 -0.738761D+01  0.576353D+01
                66            67            68            69            70 
      1   0.169443D+01  0.132167D+01 -0.564134D+01 -0.297662D+01  0.837044D+00
      2  -0.979654D+00  0.126973D+01 -0.242441D+01  0.190465D+01 -0.162262D+01
      3   0.402099D+00  0.791547D+01 -0.208396D+02  0.126556D+01  0.130657D+01
                71            72            73            74            75 
      1   0.348547D+00  0.254184D+00 -0.609148D+00 -0.829614D+00 -0.184787D+01
      2   0.144014D+01 -0.148995D+01  0.769469D+01  0.847524D+00  0.659358D+01
      3   0.662751D+00 -0.268288D+01  0.934468D+01 -0.474721D+01  0.437323D+00
                76            77            78            79            80 
      1  -0.776524D+00 -0.710965D+00 -0.363370D+00 -0.133257D+01  0.724576D+00
      2   0.120824D+01  0.721942D+00 -0.501415D+00  0.224718D+01 -0.448108D+00
      3  -0.898388D+00 -0.183292D+01 -0.285256D+00  0.162312D+00 -0.998763D+00
                81            82            83            84            85 
      1   0.127036D+00 -0.127934D+01 -0.610528D-01  0.321136D+01 -0.837400D+00
      2   0.567510D+00  0.257167D+01  0.123315D+00 -0.133326D+01  0.312102D+01
      3   0.170677D+01  0.627057D+01 -0.135183D+01  0.148792D+01  0.706348D+01
                86            87            88            89            90 
      1  -0.701091D-01 -0.299383D+01  0.515867D+01  0.257038D+01  0.158966D+00
      2   0.107689D+01  0.558714D+00 -0.121530D+02  0.160194D+00 -0.651432D+00
      3  -0.514815D+01  0.249637D+00  0.176912D+01 -0.457405D+00 -0.494623D+01
                91            92            93            94            95 
      1   0.127797D+01  0.614884D+00 -0.218406D+01  0.900430D+00  0.193228D+00
      2  -0.156920D+00  0.120989D+01  0.671340D-02  0.571892D+00 -0.289716D+01
      3  -0.332289D+01 -0.963933D+01 -0.198879D+01  0.586035D+01 -0.244932D+01
                96            97            98            99           100 
      1  -0.343010D+01 -0.512806D+01  0.183833D+01 -0.127032D+01  0.131928D+00
      2   0.693343D+01 -0.704667D+01  0.929617D+01  0.371723D+01 -0.362880D+00
      3   0.182093D+01  0.717424D-01  0.130651D+01 -0.488473D+01  0.751366D+00
               101           102           103           104           105 
      1  -0.751849D+00 -0.684524D+00 -0.120251D+01 -0.283809D+01  0.286834D+01
      2  -0.267769D+00  0.944618D+01 -0.332716D+01 -0.255615D+00 -0.565766D+00
      3  -0.780633D+01  0.390085D+00  0.109072D+02  0.355949D+01  0.204241D+01
               106           107           108           109           110 
      1  -0.954932D+00  0.108207D+02  0.231705D+01 -0.115683D+01 -0.237111D+00
      2   0.769046D+01  0.213730D+00  0.296616D+01 -0.602290D+00  0.235377D+01
      3   0.318895D+01  0.121708D+01  0.102233D+01 -0.224696D+01 -0.130021D+02
               111           112           113           114           115 
      1   0.324874D+01 -0.129054D+01  0.480874D+00 -0.287471D+01  0.625360D+01
      2   0.212714D+01 -0.748591D+00  0.307325D+01 -0.664181D+01 -0.530496D+01
      3  -0.222232D+01  0.492273D+01 -0.102490D+01 -0.232540D+01  0.199338D-01
               116           117           118           119           120 
      1   0.279705D+01  0.125847D+01  0.175564D+00  0.986518D+00 -0.287759D+01
      2  -0.941403D+01 -0.346355D+01  0.336711D+01  0.159346D+01 -0.155265D+01
      3  -0.432810D+01  0.371353D+01  0.316871D+00 -0.157566D+01 -0.204547D+01
               121           122           123           124           125 
      1   0.136819D+01 -0.640359D+00 -0.283800D+01 -0.519926D+01  0.222168D+01
      2   0.939515D+00 -0.131464D+01 -0.130889D+01 -0.127380D+02 -0.105525D+01
      3   0.145312D+01  0.705263D+01  0.250768D-01 -0.398485D+01 -0.286720D+00
               126           127           128           129           130 
      1  -0.106974D+01  0.432851D+00 -0.513381D+00  0.162848D+01  0.274649D+00
      2  -0.277589D+01  0.121698D+01 -0.433063D+00  0.270208D+00 -0.442727D+00
      3   0.533984D+01 -0.900777D+01  0.421133D+01  0.207235D-01  0.738364D+01
               131           132           133           134           135 
      1  -0.229941D-01 -0.338512D+01 -0.440812D+00  0.173814D+01  0.240197D+00
      2   0.992131D+00 -0.878794D+00 -0.162342D+01  0.424598D+00 -0.804011D-01
      3  -0.656002D+01 -0.850099D+00 -0.508040D+00 -0.123051D-02 -0.839069D-01
               136           137           138           139           140 
      1  -0.198402D+00 -0.180299D-01 -0.198227D+01 -0.169959D+00  0.423554D+00
      2   0.542998D+00  0.835861D+00  0.207305D+01  0.728367D+00  0.264740D+01
      3  -0.986065D+00 -0.321758D+01 -0.542209D+00 -0.198520D+01 -0.130845D+02
               141           142           143           144           145 
      1  -0.404873D+01  0.605604D+00  0.209578D+01 -0.467789D+00 -0.941964D-01
      2   0.339403D+01 -0.647219D+00 -0.125368D+00  0.591406D+00  0.183576D+01
      3  -0.223601D+01 -0.564826D+00 -0.260869D+01 -0.395710D+00  0.729779D-01
               146           147           148           149           150 
      1   0.433545D+00 -0.187911D+00  0.231733D+00 -0.246742D-01 -0.317981D+00
      2  -0.817482D-01  0.628092D+01  0.129446D+01  0.356020D+00  0.384769D+00
      3  -0.525651D+01  0.158361D+00 -0.386619D+01 -0.262009D+00 -0.432573D+00
               151           152           153           154           155 
      1   0.112652D+00  0.614468D+00  0.392014D-01  0.308857D+00 -0.696092D+00
      2  -0.290130D+01  0.467927D-01  0.464357D+00  0.323329D+00 -0.398367D+00
      3  -0.128500D+01 -0.613888D+00 -0.255880D+00  0.130979D+01 -0.454431D+01
               156           157           158           159           160 
      1   0.208095D+01  0.223036D+00  0.140117D+00 -0.365573D+01 -0.771345D+00
      2   0.230027D+01  0.467347D+00 -0.103207D+01 -0.315945D+01 -0.758034D+00
      3  -0.553889D-01 -0.295736D+01  0.120109D+02  0.107128D+01 -0.857861D+00
               161           162           163           164           165 
      1   0.165037D+01 -0.327830D+00  0.778920D+00  0.360038D+00 -0.171883D+01
      2   0.416210D+00 -0.385177D+00 -0.164123D+01 -0.109274D+01  0.243600D+00
      3   0.211789D+01  0.361599D+00  0.825199D+01  0.462013D+01  0.785833D+00
               166           167           168           169           170 
      1   0.481387D+00  0.908556D+00 -0.374995D+01  0.331965D+00  0.242208D+01
      2  -0.167143D+01 -0.162682D+01  0.492662D+00 -0.205947D+01 -0.688677D+00
      3   0.784593D+01  0.790133D+01  0.189341D+01  0.129872D+01  0.229903D+01
               171 
      1  -0.382095D+00
      2   0.839097D-01
      3   0.470463D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.194733D+02 -0.510907D+01  0.288973D+01 -0.613152D+01  0.255854D+01
      2  -0.756583D+01 -0.673904D+00 -0.112005D+01 -0.126071D+01  0.887115D+01
      3  -0.119075D+02  0.578297D+01 -0.176968D+01  0.739222D+01 -0.114297D+02
      4  -0.167278D+02  0.187149D+02 -0.555084D+01  0.219815D+02 -0.200886D+02
      5   0.510706D+01 -0.498735D+01  0.812332D+01 -0.818816D+01  0.111357D+02
      6  -0.300554D+01  0.201155D+01 -0.270078D+01  0.357570D+01 -0.863744D+01
                 6             7             8             9            10 
      1   0.453425D+00  0.284698D+01  0.192870D+01  0.161832D+01  0.101727D+02
      2  -0.274749D+01 -0.172859D+01 -0.444594D+01 -0.673702D+01 -0.362250D+01
      3   0.229406D+01 -0.111840D+01  0.251724D+01  0.511871D+01 -0.655025D+01
      4   0.111651D+02 -0.913487D+01  0.136172D+02  0.291167D+01 -0.604226D+01
      5   0.507500D+01  0.741399D+01  0.257965D+01  0.230827D+02  0.675650D+00
      6   0.406105D+01  0.593631D+00  0.103308D+01 -0.131028D+02  0.130750D+01
                11            12            13            14            15 
      1   0.235425D+01 -0.113910D+01  0.117626D+01 -0.833729D+01  0.413428D+01
      2   0.499334D+00  0.793546D+00  0.512636D+01  0.432899D+01 -0.246987D+00
      3  -0.285358D+01  0.345556D+00 -0.630262D+01  0.400830D+01 -0.388730D+01
      4  -0.165053D+02  0.388566D+01 -0.265971D+02  0.319319D+01 -0.185983D+01
      5   0.426478D+01 -0.123578D+02  0.941556D+01 -0.195723D+01 -0.185085D+02
      6   0.261176D+01 -0.288667D+01  0.160106D+01  0.494250D+01 -0.948782D+01
                16            17            18            19            20 
      1   0.134409D+02  0.421548D+01 -0.281055D+00  0.287089D+01 -0.319798D+01
      2   0.825146D+00  0.356666D+01  0.905622D+01 -0.134188D+01  0.118310D+01
      3  -0.142661D+02 -0.778214D+01 -0.877517D+01 -0.152900D+01  0.201488D+01
      4   0.108404D+02  0.444801D+01 -0.182447D+02 -0.373638D+01  0.191695D+01
      5  -0.218281D+02 -0.167434D+02 -0.224236D+02 -0.242788D+01  0.176266D+01
      6  -0.104555D+02 -0.506892D+01 -0.483027D+01  0.146498D+01 -0.152670D+00
                21            22            23            24            25 
      1  -0.255856D+01 -0.347987D+01 -0.289235D+01 -0.136893D+01 -0.454956D+01
      2   0.603772D+00  0.267967D+00  0.534565D+01  0.293957D+01  0.198377D+01
      3   0.195479D+01  0.321191D+01 -0.245330D+01 -0.157065D+01  0.256580D+01
      4   0.239373D+01  0.540860D+01 -0.995750D+01 -0.560583D+01  0.727914D+01
      5   0.222270D+01  0.259082D+01 -0.524943D+01 -0.738728D+01  0.679069D+01
      6  -0.579336D+00 -0.154205D+01  0.457309D+01  0.655363D+01 -0.362586D+01
                26            27            28            29            30 
      1  -0.937409D+00 -0.273187D+01  0.450339D+01  0.109890D+01  0.420656D+01
      2   0.319611D+01  0.185233D+01 -0.627344D+01 -0.112567D+01 -0.475759D+01
      3  -0.225870D+01  0.879545D+00  0.177005D+01  0.267687D-01  0.551028D+00
      4  -0.126409D+02 -0.103273D+02  0.449162D+01  0.628748D+01  0.237599D+01
      5  -0.997136D+01 -0.198682D+02  0.100400D+02  0.234325D+01  0.131218D+02
      6   0.797043D+01  0.124736D+02  0.280490D+01  0.307277D+00  0.200033D+01
                31            32            33            34            35 
      1   0.144380D+01 -0.227764D+01 -0.321399D+01  0.241924D+01 -0.289229D+01
      2  -0.268244D+01 -0.454093D+00 -0.652023D+00 -0.834865D+01 -0.237491D+01
      3   0.123863D+01  0.273174D+01  0.386602D+01  0.592942D+01  0.526720D+01
      4   0.937192D+01  0.607998D+01  0.696243D+01  0.347815D+01  0.675069D+01
      5   0.384139D+01  0.660262D+01  0.105531D+02  0.188370D+02  0.836252D+01
      6   0.266925D+01  0.483377D+01  0.924914D+01  0.517739D+01  0.664053D+01
                36            37            38            39            40 
      1  -0.106574D+02 -0.574135D+02 -0.159172D+02 -0.167836D+01 -0.738197D+01
      2  -0.147004D+02  0.241142D+02  0.148474D+02  0.418358D+01  0.671005D+01
      3   0.253577D+02  0.332993D+02  0.106980D+01 -0.250522D+01  0.671923D+00
      4   0.863023D+01 -0.175357D+02  0.122446D+02 -0.488534D+01  0.179796D+02
      5   0.333047D+02 -0.297435D+01 -0.236418D+01  0.110188D+02 -0.832807D+01
      6   0.110953D+02 -0.446101D+01 -0.618108D+01  0.429658D+01 -0.643504D+01
                41            42            43            44            45 
      1   0.210781D+02  0.221051D+01 -0.128607D+02 -0.369404D+00  0.133401D+02
      2  -0.226435D+02  0.653653D+01  0.620595D+01  0.390186D+01  0.838731D+01
      3   0.156539D+01 -0.874703D+01  0.665472D+01 -0.353245D+01 -0.217274D+02
      4  -0.721429D+01 -0.322170D+01 -0.155251D+02 -0.515773D+01  0.196775D+02
      5  -0.642540D+01  0.162310D+02  0.151432D+02  0.160637D+02  0.180156D+02
      6  -0.268603D+00  0.668672D+01  0.796887D+01  0.671117D+01 -0.119444D+01
                46            47            48            49            50 
      1  -0.197015D+02  0.112750D+00 -0.138186D+00  0.170448D+01 -0.795803D+01
      2   0.680605D+01 -0.634295D+00 -0.336385D+00 -0.232637D+01  0.137928D+02
      3   0.128954D+02  0.521546D+00  0.474571D+00  0.621891D+00 -0.583478D+01
      4   0.111088D+02  0.505094D+01  0.639853D+00 -0.116477D+02 -0.232105D+01
      5  -0.105538D+01  0.141020D+00  0.498994D+00 -0.360274D+01 -0.779202D+00
      6  -0.763873D+00  0.189926D+00 -0.879487D-01 -0.205228D+01  0.297457D+01
                51            52            53            54            55 
      1  -0.966849D-01 -0.693675D+01 -0.848792D+00 -0.968159D+01  0.399219D+01
      2   0.453112D+01  0.126338D+01  0.155099D+01 -0.354286D+01 -0.449960D+01
      3  -0.443443D+01  0.567336D+01 -0.702194D+00  0.132245D+02  0.507413D+00
      4  -0.133852D+01 -0.317599D+01 -0.198914D+01  0.275328D+01  0.266911D+00
      5   0.224183D+01  0.401280D+01  0.217930D+01  0.606303D+00 -0.287575D+01
      6  -0.355629D+01 -0.120378D+01  0.588216D+01 -0.264877D+01  0.180705D+00
                56            57            58            59            60 
      1   0.520525D+00 -0.654738D+01 -0.244956D+01 -0.499468D+01 -0.242855D+01
      2  -0.133540D+01  0.696405D+00  0.189969D+01  0.868113D+00 -0.581558D+01
      3   0.814878D+00  0.585097D+01  0.549872D+00  0.412657D+01  0.824413D+01
      4  -0.208740D+01 -0.687513D+00 -0.374019D+00 -0.384825D+01 -0.564828D+01
      5   0.880597D+00  0.273716D+00  0.404920D+01 -0.426903D+01 -0.102426D+02
      6   0.169132D+01 -0.107362D+01  0.343265D-01  0.210816D+01  0.366292D+01
                61            62            63            64            65 
      1  -0.564655D+01 -0.969587D+00 -0.170070D+02 -0.197203D+01  0.925288D+01
      2   0.434848D+01 -0.422502D+01 -0.179213D+02  0.489652D+01 -0.974648D+01
      3   0.129807D+01  0.519461D+01  0.349283D+02 -0.292449D+01  0.493594D+00
      4  -0.173921D+01 -0.736098D+01 -0.620036D+01  0.116379D+01 -0.229574D+01
      5   0.844242D+01 -0.355723D+01 -0.320022D+02  0.227091D+01 -0.449832D+00
      6   0.695350D+00  0.421854D+01 -0.719798D+01 -0.981182D-01  0.279556D+01
                66            67            68            69            70 
      1  -0.717521D+00  0.932890D+01 -0.250174D+02  0.220419D+01  0.184154D+01
      2  -0.354804D+00 -0.663092D+01  0.378887D+02 -0.143399D+01 -0.120562D+01
      3   0.107232D+01 -0.269798D+01 -0.128713D+02 -0.770202D+00 -0.635922D+00
      4   0.124307D+01  0.422873D+01  0.288835D+02 -0.253807D+01  0.218465D+01
      5  -0.215391D+01 -0.290355D+01 -0.279002D+00  0.387426D+01 -0.651439D-01
      6  -0.264222D+01  0.715458D+00 -0.100017D+02  0.631277D+01 -0.158600D+01
                71            72            73            74            75 
      1   0.182723D+01 -0.583529D+01  0.868224D+02  0.110180D+02  0.219671D+01
      2  -0.514927D+00  0.295760D+01 -0.414364D+02 -0.265429D+01  0.609308D+00
      3  -0.131231D+01  0.287769D+01 -0.453860D+02 -0.836370D+01 -0.280602D+01
      4  -0.448204D+00  0.149364D+01  0.321654D+02  0.156162D+02  0.446802D-01
      5   0.222034D+01 -0.201194D+01 -0.100366D+02 -0.180743D+01  0.109667D+02
      6   0.632037D+01 -0.114260D+01 -0.396455D+00 -0.151510D+01  0.349524D+01
                76            77            78            79            80 
      1   0.264993D+01  0.558185D+01  0.137035D+00  0.990163D+01  0.968876D+00
      2   0.137033D+01  0.237085D+00 -0.535973D+00 -0.381948D+01 -0.847690D-01
      3  -0.402026D+01 -0.581894D+01  0.398938D+00 -0.608215D+01 -0.884107D+00
      4   0.129551D+02  0.706980D+01  0.697770D+00  0.453397D+01  0.317844D+01
      5   0.482115D+00 -0.354941D-01 -0.877590D+00  0.100927D+02  0.220354D+00
      6  -0.795952D+00 -0.621089D+00  0.835517D+00  0.294765D+01  0.805453D+00
                81            82            83            84            85 
      1   0.621902D+01  0.532076D+01  0.165729D+02  0.534000D+01 -0.240724D+01
      2  -0.535213D+01 -0.605280D+01 -0.110488D+02 -0.133538D+01  0.114915D+02
      3  -0.866898D+00  0.732044D+00 -0.552414D+01 -0.400462D+01 -0.908424D+01
      4   0.112184D+01  0.802045D+01 -0.114119D+02  0.577400D+00  0.403557D+01
      5   0.429480D+00  0.224502D+01  0.396712D+00 -0.160816D+01  0.207088D+01
      6   0.680005D+00  0.331367D+01 -0.299789D+01 -0.647077D+01  0.502459D+01
                86            87            88            89            90 
      1   0.317993D+01  0.251171D+01 -0.241452D+00  0.468028D+01 -0.147286D+02
      2  -0.840900D+01 -0.244249D+01  0.282114D+01 -0.629925D+01  0.210382D+01
      3   0.522907D+01 -0.692201D-01 -0.257969D+01  0.161897D+01  0.126248D+02
      4   0.152386D+02  0.189968D+01  0.706576D+00 -0.169192D+01  0.363244D+01
      5   0.174811D+01  0.121368D+00  0.401955D+01  0.352078D+01 -0.203569D+01
      6  -0.352373D+01  0.716291D+01 -0.271932D+01  0.138563D+02 -0.558814D-01
                91            92            93            94            95 
      1   0.456516D+01 -0.227397D+02 -0.232087D+01  0.242231D+02  0.104945D+02
      2  -0.338405D+01  0.145408D+02  0.914793D+00 -0.238256D+02 -0.149684D+02
      3  -0.118111D+01  0.819890D+01  0.140608D+01 -0.397493D+00  0.447391D+01
      4  -0.132591D+02 -0.673198D+01 -0.530641D+01  0.749669D+01 -0.451560D+01
      5  -0.431062D+01 -0.493857D+01 -0.199963D+01 -0.111579D+01 -0.611051D+01
      6  -0.563479D+01 -0.229333D+01  0.515784D+01 -0.496285D+01 -0.943494D+01
                96            97            98            99           100 
      1   0.152400D+01  0.239498D+01 -0.321540D+01 -0.480711D+01 -0.128896D+02
      2  -0.610105D+01 -0.607472D+01 -0.470640D+01 -0.604775D+01  0.696261D+01
      3   0.457705D+01  0.367975D+01  0.792180D+01  0.108549D+02  0.592695D+01
      4  -0.595058D+01 -0.550684D+01 -0.979031D+01  0.135164D+02 -0.143559D+01
      5   0.142939D+02  0.139221D+02  0.142481D+02  0.750268D+01 -0.895397D+01
      6   0.628021D+01  0.532284D+01  0.140773D+02  0.338244D+01  0.388377D+00
               101           102           103           104           105 
      1  -0.702798D+00 -0.770569D+01  0.385328D+01 -0.219970D+02 -0.608866D+01
      2   0.561957D+00  0.383643D+01 -0.223812D+01  0.202154D+02  0.914319D+01
      3   0.140842D+00  0.386927D+01 -0.161516D+01  0.178164D+01 -0.305453D+01
      4   0.234614D+02  0.789184D-01 -0.216994D+02 -0.689773D+01 -0.363740D+01
      5  -0.756138D-02  0.204488D+02 -0.100351D+02 -0.266166D+01 -0.127247D+01
      6   0.639941D+00  0.144950D+01 -0.303657D+01  0.412496D+01 -0.572060D+01
               106           107           108           109           110 
      1  -0.867252D+01 -0.654664D+01  0.124239D+02  0.389082D+01  0.236975D+02
      2   0.285483D+01  0.505738D+01 -0.169444D+02 -0.566041D+01 -0.139900D+02
      3   0.581769D+01  0.148925D+01  0.452055D+01  0.176959D+01 -0.970742D+01
      4  -0.109462D+02  0.100777D+01 -0.898115D+00  0.197624D+02  0.173969D+01
      5   0.342436D+02  0.148788D+00  0.626303D+01  0.425131D+00  0.420760D+01
      6   0.131354D+00  0.625853D+01 -0.387785D+01  0.279536D+01 -0.251768D+01
               111           112           113           114           115 
      1   0.525377D+01 -0.238484D+02  0.688475D+01  0.194695D+01 -0.740708D+01
      2   0.460881D+00  0.247447D+02 -0.123115D+02 -0.188806D+01  0.833799D+01
      3  -0.571465D+01 -0.896360D+00  0.542677D+01 -0.588837D-01 -0.930915D+00
      4   0.477681D+01  0.611130D+01  0.129383D+02  0.850631D+01  0.232306D+01
      5   0.477526D+01 -0.262733D+01  0.770451D+01 -0.134350D+02  0.181468D+02
      6  -0.725422D+01  0.651190D+01 -0.591264D+01  0.689007D+01 -0.658707D+01
               116           117           118           119           120 
      1   0.650388D+01  0.690882D+00  0.640488D+01 -0.143162D+02  0.101307D-01
      2  -0.863267D+01 -0.744822D+01 -0.591005D+01  0.109524D+02 -0.168933D+01
      3   0.212879D+01  0.675734D+01 -0.494830D+00  0.336380D+01  0.167920D+01
      4   0.717395D+01 -0.136024D+02 -0.118685D+02 -0.180316D+02 -0.415617D+01
      5  -0.140459D+02 -0.717311D+01 -0.909311D-01 -0.394284D+01 -0.482750D+01
      6   0.131685D+02 -0.663281D+00 -0.338245D+01 -0.256584D+01  0.599294D+01
               121           122           123           124           125 
      1   0.260349D+01  0.799778D+01  0.458653D+01  0.192248D+01  0.155672D+01
      2  -0.973819D+01 -0.113470D+02 -0.634691D+01 -0.413823D+01 -0.715091D+01
      3   0.713470D+01  0.334924D+01  0.176038D+01  0.221574D+01  0.559420D+01
      4   0.115679D+02 -0.132342D+02 -0.165684D+01 -0.967247D-01 -0.412114D+01
      5   0.312137D+00 -0.167191D+01 -0.132121D+01  0.221634D+00 -0.501610D+01
      6  -0.498579D+01 -0.942983D+01  0.403499D+01  0.341660D+01  0.117516D+02
               126           127           128           129           130 
      1  -0.152283D+02 -0.445618D+01  0.794537D+01  0.244932D+00  0.875651D+01
      2   0.291342D-01  0.687669D+01 -0.110731D+02 -0.373280D+00 -0.119180D+02
      3   0.151992D+02 -0.242051D+01  0.312771D+01  0.128348D+00  0.316146D+01
      4  -0.624713D+01 -0.756719D+01  0.769286D+01  0.651346D+00  0.734137D+01
      5  -0.594443D+01 -0.460928D+00  0.836920D+00  0.962030D+00  0.896871D+00
      6   0.423869D+01 -0.510753D-01 -0.361483D-01 -0.196758D+01 -0.104743D+01
               131           132           133           134           135 
      1  -0.252109D+02 -0.200745D+01  0.619832D+00 -0.193540D+01 -0.877236D+00
      2   0.345047D+02  0.167201D+01 -0.104606D+01  0.256734D+01  0.168233D+01
      3  -0.929379D+01  0.335442D+00  0.426231D+00 -0.631942D+00 -0.805094D+00
      4  -0.720467D+01 -0.406450D+00  0.211730D+00 -0.113470D+00 -0.157969D+01
      5  -0.893298D+00 -0.949661D+00  0.573714D+00 -0.780858D+00 -0.741673D-01
      6   0.260536D+01  0.528200D+01 -0.744828D+00  0.192472D+01  0.293946D+00
               136           137           138           139           140 
      1   0.867954D+01  0.677276D+01  0.129483D+01  0.113449D+01 -0.991825D+01
      2   0.205468D+01  0.451942D+01  0.719649D-01  0.105739D+02  0.314081D+02
      3  -0.107342D+02 -0.112922D+02 -0.136679D+01 -0.117084D+02 -0.214898D+02
      4   0.226811D+02  0.260464D+02  0.532955D+01  0.273436D+02  0.474288D+02
      5   0.491520D+01  0.522520D+01  0.511402D+01  0.523730D+01  0.827009D+01
      6   0.360722D+01  0.414063D+01  0.328441D+01  0.509335D+01  0.106427D+02
               141           142           143           144           145 
      1  -0.199584D+01  0.107794D+01 -0.114828D+01 -0.906983D+00  0.100808D+03
      2   0.381137D+01  0.144212D+01  0.504865D+01  0.221311D+01 -0.578484D+02
      3  -0.181553D+01 -0.252006D+01 -0.390037D+01 -0.130613D+01 -0.429599D+02
      4   0.864025D+01  0.686880D+01  0.106359D+02  0.382712D+01  0.348828D+01
      5   0.593789D+01  0.244648D+01  0.309667D+01  0.226347D+01  0.126815D+02
      6   0.801331D+01  0.231873D+01  0.414926D+01  0.285911D+01 -0.195988D+01
               146           147           148           149           150 
      1   0.290269D+01  0.838664D+01  0.179159D+01  0.929180D+01  0.129482D+01
      2  -0.145926D+01 -0.577108D+01 -0.866893D+00 -0.454184D+01 -0.111442D+01
      3  -0.144343D+01 -0.261557D+01 -0.924699D+00 -0.474997D+01 -0.180400D+00
      4   0.840945D+01  0.105204D+00  0.146900D+02  0.106606D+01  0.141115D+01
      5   0.183694D+00  0.108216D+02  0.266501D+01  0.150884D+01  0.604505D+00
      6   0.589137D+00 -0.485525D-01  0.106439D+01 -0.846350D-01  0.148435D+01
               151           152           153           154           155 
      1   0.105029D+02  0.150879D+01  0.382913D+01  0.155135D+02 -0.104198D+02
      2  -0.615558D+01 -0.881325D+00 -0.232542D+01 -0.309702D+00 -0.360570D+01
      3  -0.434732D+01 -0.627461D+00 -0.150371D+01 -0.152038D+02  0.140255D+02
      4   0.279032D+01  0.115512D+01  0.507524D+00 -0.289952D+02  0.298564D+02
      5   0.314269D+01  0.302273D+00  0.199714D+01 -0.348438D+01  0.263909D+01
      6  -0.257189D-03  0.480625D+00  0.291510D+00  0.115521D+01 -0.916256D+00
               156           157           158           159           160 
      1  -0.134643D+01 -0.578279D+01 -0.146169D+01 -0.738192D-02  0.435979D+00
      2   0.312390D+00 -0.901140D+01  0.236253D+02  0.121204D+01 -0.157343D+01
      3   0.103405D+01  0.147942D+02 -0.221636D+02 -0.120466D+01  0.113746D+01
      4   0.248770D+01  0.325173D+02 -0.475766D+02 -0.552515D+01  0.346571D+01
      5   0.488752D+01  0.457477D+01 -0.612635D+01 -0.542431D+01  0.205117D+01
      6  -0.284464D+01 -0.289586D+01  0.466596D+01  0.608388D+01 -0.162378D+01
               161           162           163           164           165 
      1  -0.114475D+01 -0.413109D+00 -0.491431D+01 -0.778396D+01 -0.292229D+01
      2   0.322067D+01  0.157599D+01  0.635893D+01  0.921164D+01  0.188036D+01
      3  -0.207591D+01 -0.116289D+01 -0.144462D+01 -0.142768D+01  0.104192D+01
      4  -0.560734D+01 -0.305073D+01  0.556535D+01  0.742928D+01  0.128270D+01
      5  -0.202656D+01 -0.954699D+00  0.372017D+00  0.902567D+00  0.168960D+01
      6   0.250867D+01  0.141194D+01  0.273528D+01  0.419890D+01  0.287950D+01
               166           167           168           169           170 
      1  -0.821545D+01 -0.286038D+02 -0.732017D+01 -0.246430D+01 -0.670622D+01
      2   0.103760D+02  0.367930D+02  0.652757D+01  0.263312D+01  0.768224D+01
      3  -0.216055D+01 -0.818922D+01  0.792600D+00 -0.168821D+00 -0.976026D+00
      4   0.604237D+01  0.250676D+01  0.167644D+00  0.144248D+01  0.954018D+00
      5   0.664715D+00 -0.511384D+00  0.485727D+00  0.114585D+01  0.745437D+00
      6   0.352549D+01  0.117299D+02  0.814917D+01  0.152036D+01  0.471434D+01
               171 
      1  -0.295115D+01
      2   0.317633D+01
      3  -0.225178D+00
      4   0.207874D+01
      5   0.108459D+01
      6   0.327369D+01
 Leave Link  716 at Thu Aug 12 21:36:44 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128753D+03  0.154640D+01  0.206168D+01
      2   0.154640D+01  0.107403D+03  0.528632D+01
      3   0.206168D+01  0.528632D+01  0.719779D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.785363D+00  0.654187D+00  0.758163D+01
      2   0.962699D+01  0.887017D+01  0.326295D+00
      3  -0.691561D+01 -0.410577D+02 -0.839852D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.976201D+02  0.575456D+01  0.713416D+01
      2  -0.440102D+02 -0.150855D+02 -0.130510D+02
      3  -0.536099D+02  0.933098D+01  0.591689D+01
      4  -0.280383D+02  0.737540D+02  0.210422D+02
      5   0.273726D+02  0.225277D+02 -0.340810D+01
      6   0.811328D+01  0.103491D+02 -0.162279D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.275219D+01  0.246095D+01 -0.692639D+00  0.937104D+00 -0.237786D+01
      2   0.246095D+01 -0.134280D+01  0.958147D+00 -0.237786D+01  0.267470D+01
      3  -0.692639D+00  0.958147D+00  0.174829D+00  0.121298D+01 -0.218357D+01
                 6             7             8             9            10 
      1   0.121298D+01 -0.165721D+01  0.138999D+01 -0.546443D+00  0.304504D+01
      2  -0.218357D+01  0.138999D+01 -0.269014D+01 -0.636263D+00  0.166230D+01
      3  -0.173947D+01 -0.546443D+00 -0.636263D+00 -0.465973D+01 -0.715442D-01
                11            12            13            14            15 
      1   0.166230D+01 -0.715442D-01  0.636361D+01  0.398348D+01 -0.127127D+01
      2   0.169508D+01 -0.101982D+01  0.398348D+01  0.177308D+00  0.519619D+00
      3  -0.101982D+01  0.135747D+01 -0.127127D+01  0.519619D+00  0.474912D+01
                16            17            18            19            20 
      1  -0.662095D+00 -0.146455D+01  0.410506D+01 -0.624049D+00  0.410468D+00
      2  -0.146455D+01 -0.553713D+00  0.342722D+01  0.410468D+00 -0.460849D+00
      3   0.410506D+01  0.342722D+01  0.544939D+01  0.364851D+00 -0.228944D+00
                21            22            23            24            25 
      1   0.364851D+00  0.105797D+01 -0.767907D+00 -0.455711D+00  0.183198D+01
      2  -0.228944D+00 -0.767907D+00  0.218409D+01  0.107367D+01 -0.102866D+01
      3  -0.484194D+00 -0.455711D+00  0.107367D+01  0.160052D+01 -0.117198D+01
                26            27            28            29            30 
      1  -0.102866D+01 -0.117198D+01 -0.188953D+01 -0.759457D+00 -0.175211D+01
      2   0.263501D+01  0.209007D+01 -0.759457D+00 -0.563806D+00 -0.244948D+00
      3   0.209007D+01  0.424809D+01 -0.175211D+01 -0.244948D+00 -0.156447D+01
                31            32            33            34            35 
      1  -0.261507D+01 -0.156400D+01 -0.632449D+00 -0.397335D+01 -0.585269D+00
      2  -0.156400D+01 -0.127897D+01 -0.152752D+01 -0.585269D+00 -0.148484D+01
      3  -0.632449D+00 -0.152752D+01 -0.241550D+01 -0.296661D+01 -0.185672D+01
                36            37            38            39            40 
      1  -0.296661D+01  0.855044D+01  0.814575D+00  0.170691D+01 -0.265921D+01
      2  -0.185672D+01  0.814575D+00 -0.281141D+01  0.859896D+00 -0.358187D+01
      3  -0.773867D+01  0.170691D+01  0.859896D+00 -0.180241D+01  0.159107D+01
                41            42            43            44            45 
      1  -0.358187D+01  0.159107D+01  0.526615D+01  0.219155D+01 -0.221795D+01
      2   0.286365D+01  0.535452D+00  0.219155D+01  0.108646D+01 -0.307456D+01
      3   0.535452D+00 -0.347684D+01 -0.221795D+01 -0.307456D+01 -0.461486D+01
                46            47            48            49            50 
      1  -0.158038D+02 -0.231827D+01 -0.513704D+00 -0.317147D+01  0.185414D+01
      2  -0.231827D+01 -0.272635D+01 -0.592556D-01  0.185414D+01 -0.140784D+00
      3  -0.513704D+00 -0.592556D-01 -0.217326D+01  0.956797D+00  0.152297D-01
                51            52            53            54            55 
      1   0.956797D+00 -0.726219D+00  0.835951D+00 -0.355149D+01 -0.463819D+00
      2   0.152297D-01  0.835951D+00 -0.125931D+00 -0.537320D+00  0.221440D+00
      3  -0.425507D+00 -0.355149D+01 -0.537320D+00 -0.159453D+01  0.696986D+00
                56            57            58            59            60 
      1   0.221440D+00  0.696986D+00  0.995912D+00  0.225386D+00 -0.468949D+00
      2   0.603979D+00 -0.770983D-01  0.225386D+00  0.568512D+00  0.114247D+01
      3  -0.770983D-01  0.106954D+01 -0.468949D+00  0.114247D+01  0.225068D+01
                61            62            63            64            65 
      1   0.111649D+01  0.386667D-01 -0.618838D+00  0.866694D+00 -0.904725D+00
      2   0.386667D-01  0.139522D+01  0.778695D+00 -0.904725D+00  0.155256D+01
      3  -0.618838D+00  0.778695D+00  0.744328D+01 -0.367931D+00 -0.350455D+00
                66            67            68            69            70 
      1  -0.367931D+00 -0.179042D+01  0.524349D+00  0.918915D-01 -0.754090D+00
      2  -0.350455D+00  0.524349D+00 -0.741065D+01  0.618921D+00 -0.288285D+00
      3   0.653225D+00  0.918915D-01  0.618921D+00 -0.103632D+01  0.305489D+00
                71            72            73            74            75 
      1  -0.288285D+00  0.305489D+00 -0.137036D+02 -0.229325D+01  0.434060D-01
      2   0.253121D+00 -0.738899D+00 -0.229325D+01 -0.136396D+01  0.116733D+00
      3  -0.738899D+00  0.611364D+00  0.434060D-01  0.116733D+00 -0.121981D+01
                76            77            78            79            80 
      1  -0.619519D+00 -0.122264D+01 -0.199838D+00 -0.213992D+01 -0.479591D+00
      2  -0.122264D+01 -0.875706D+00 -0.966222D-01 -0.479591D+00 -0.571956D+00
      3  -0.199838D+00 -0.966222D-01  0.303613D+00 -0.109258D+01  0.788573D-01
                81            82            83            84            85 
      1  -0.109258D+01  0.427980D+01 -0.107641D+01  0.378123D+00  0.758209D+01
      2   0.788573D-01 -0.107641D+01 -0.311163D+01 -0.791163D+00  0.147252D+00
      3  -0.512360D-01  0.378123D+00 -0.791163D+00 -0.216609D+01  0.571206D-01
                86            87            88            89            90 
      1   0.147252D+00  0.571206D-01  0.253288D+01 -0.245353D+00 -0.170272D+01
      2   0.159347D+01 -0.494450D+00 -0.245353D+00 -0.114345D+01  0.336208D+01
      3  -0.494450D+00  0.211664D+01 -0.170272D+01  0.336208D+01  0.721263D+00
                91            92            93            94            95 
      1  -0.322092D+01 -0.160608D+00 -0.566284D+00  0.508800D+01 -0.932895D-01
      2  -0.160608D+00  0.283917D+01 -0.314845D+00 -0.932895D-01  0.115357D+01
      3  -0.566284D+00 -0.314845D+00  0.119133D+01 -0.254362D+00 -0.894497D+00
                96            97            98            99           100 
      1  -0.254362D+00  0.968558D-01 -0.100251D+01  0.212846D+01  0.545067D+01
      2  -0.894497D+00 -0.100251D+01 -0.941692D+00  0.373309D+01  0.299417D+00
      3   0.237663D+01  0.212846D+01  0.373309D+01  0.243020D+01 -0.688411D+00
               101           102           103           104           105 
      1   0.299417D+00 -0.688411D+00  0.683380D+00 -0.628295D+00 -0.110971D+01
      2   0.322801D+01 -0.421688D-01 -0.628295D+00 -0.440472D-01 -0.372975D+00
      3  -0.421688D-01  0.325220D+01 -0.110971D+01 -0.372975D+00 -0.422188D-01
               106           107           108           109           110 
      1  -0.202204D+00 -0.104627D+01  0.515338D+01 -0.229112D+01 -0.179403D+00
      2  -0.104627D+01  0.404732D+00  0.711275D-01 -0.179403D+00  0.247183D+01
      3   0.515338D+01  0.711275D-01  0.137680D+01 -0.482411D+00  0.772673D+00
               111           112           113           114           115 
      1  -0.482411D+00 -0.535153D+01 -0.560060D+00 -0.773798D+00 -0.184779D+01
      2   0.772673D+00 -0.560060D+00 -0.873061D+00  0.106662D+01 -0.252973D+00
      3   0.173646D+01 -0.773798D+00  0.106662D+01 -0.249969D+01  0.273628D+01
               116           117           118           119           120 
      1  -0.252973D+00  0.273628D+01  0.359462D+01  0.187131D+01  0.645265D+00
      2   0.149113D+01 -0.328430D+01  0.187131D+01 -0.280770D+01  0.103888D+00
      3  -0.328430D+01 -0.102877D+01  0.645265D+00  0.103888D+00 -0.142587D+01
               121           122           123           124           125 
      1  -0.638728D+01 -0.744884D+00  0.287966D+00  0.171849D-01  0.936210D+00
      2  -0.744884D+00 -0.143345D+01  0.932565D+00  0.936210D+00  0.639600D+00
      3   0.287966D+00  0.932565D+00 -0.164807D+01 -0.924184D+00 -0.314603D+01
               126           127           128           129           130 
      1  -0.924184D+00 -0.286554D+01  0.219980D+01  0.120906D-01  0.225454D+01
      2  -0.314603D+01  0.219980D+01 -0.261760D+01 -0.891475D-01 -0.283448D+01
      3  -0.236967D+01  0.120906D-01 -0.891475D-01 -0.243784D+00 -0.251804D+00
               131           132           133           134           135 
      1  -0.283448D+01 -0.251804D+00 -0.248083D+00 -0.864571D-01  0.385947D-01
      2   0.705613D+01  0.480388D+00 -0.864571D-01  0.559636D+00  0.147860D+00
      3   0.480388D+00  0.723667D+00  0.385947D-01  0.147860D+00 -0.492873D-01
               136           137           138           139           140 
      1   0.290178D+01  0.302545D+01  0.731135D+00  0.267924D+01  0.407708D+01
      2   0.302545D+01  0.323654D+01  0.738168D+00  0.407708D+01  0.869932D+01
      3   0.731135D+00  0.738168D+00  0.570105D+00  0.826553D+00  0.163782D+01
               141           142           143           144           145 
      1   0.826553D+00  0.762471D+00  0.103689D+01  0.308276D+00  0.131698D+02
      2   0.163782D+01  0.103689D+01  0.189580D+01  0.402383D+00  0.377218D+00
      3   0.111725D+01  0.308276D+00  0.402383D+00  0.275657D+00  0.131091D+01
               146           147           148           149           150 
      1   0.377218D+00  0.131091D+01  0.297115D+00  0.156514D+01  0.322481D+00
      2   0.755721D+00  0.231240D-01  0.156514D+01  0.135251D+00  0.170818D+00
      3   0.231240D-01  0.999841D+00  0.322481D+00  0.170818D+00  0.749145D-01
               151           152           153           154           155 
      1   0.143301D+01  0.351518D+00  0.101232D+00  0.403363D+01 -0.356722D+01
      2   0.351518D+00  0.953379D-01  0.561502D-02 -0.356722D+01  0.361852D+01
      3   0.101232D+00  0.561502D-02  0.123822D+00 -0.334879D+00  0.264911D+00
               156           157           158           159           160 
      1  -0.334879D+00 -0.338826D+01  0.447819D+01  0.631811D+00 -0.263253D+00
      2   0.264911D+00  0.447819D+01 -0.759946D+01 -0.918191D+00  0.479982D+00
      3   0.520587D+00  0.631811D+00 -0.918191D+00 -0.857422D+00  0.125150D+00
               161           162           163           164           165 
      1   0.479982D+00  0.125150D+00 -0.227792D+01 -0.208359D+01 -0.419762D+00
      2  -0.110523D+01 -0.253628D+00 -0.208359D+01 -0.219532D+01 -0.619693D+00
      3  -0.253628D+00 -0.168728D+00 -0.419762D+00 -0.619693D+00 -0.445712D+00
               166           167           168           169           170 
      1  -0.195620D+01 -0.247972D+01 -0.560785D+00 -0.582810D+00 -0.780831D+00
      2  -0.247972D+01 -0.744986D+01 -0.170575D+01 -0.780831D+00 -0.183911D+01
      3  -0.560785D+00 -0.170575D+01 -0.117200D+01 -0.209134D+00 -0.569272D+00
               171 
      1  -0.209134D+00
      2  -0.569272D+00
      3  -0.404390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.304522D+00 -0.259781D+00  0.751541D+00  0.797363D-01 -0.310294D+00
      2  -0.635250D+00 -0.187853D+00  0.452526D+01 -0.941134D+00  0.378076D+01
      3   0.308957D+01 -0.891735D+01  0.101983D+01  0.827299D+00  0.769288D+01
                 6             7             8             9            10 
      1  -0.105886D+01 -0.391946D+01  0.628286D+01  0.791206D+01 -0.221762D+01
      2   0.324558D+01 -0.108220D+01  0.374718D+01  0.113290D+02  0.126082D+01
      3  -0.524189D+01  0.179532D+00 -0.598399D+01 -0.238799D+01  0.645007D+01
                11            12            13            14            15 
      1  -0.144852D+00  0.974725D+00 -0.122216D+01 -0.238547D+00  0.210479D+00
      2   0.153237D+01 -0.155799D+01  0.431032D+01  0.110942D+01 -0.758045D+01
      3   0.281324D+01 -0.104645D+00  0.141009D+02 -0.612404D+01  0.118222D+01
                16            17            18            19            20 
      1   0.413789D+01  0.516040D+01 -0.618285D+00 -0.443478D+00  0.397599D+00
      2  -0.151343D+02 -0.762884D+01 -0.868977D+01 -0.195217D+01  0.750320D+00
      3  -0.925606D+00 -0.147421D+01  0.685779D+01  0.212409D+01 -0.169633D+00
                21            22            23            24            25 
      1   0.495825D+00  0.922376D+00 -0.271860D+01 -0.371415D+01  0.276319D+01
      2   0.979926D+00  0.772191D+00 -0.309916D+01 -0.434563D+01  0.811546D+00
      3  -0.938469D-02  0.398413D+00  0.444895D+01  0.274599D+01 -0.144493D+00
                26            27            28            29            30 
      1  -0.289632D+01 -0.860439D+01 -0.561513D+00  0.105344D+01 -0.594211D+00
      2  -0.587813D+01 -0.109323D+02  0.176449D+01  0.344955D+00  0.305460D+01
      3   0.659915D+01  0.511277D+01 -0.166836D+01 -0.333268D+01 -0.325651D+00
                31            32            33            34            35 
      1   0.103591D+01  0.873496D+00 -0.735864D+00 -0.100276D+01  0.236102D+01
      2  -0.384885D+00  0.161816D+01  0.440958D+01  0.153519D+01  0.295024D+01
      3  -0.181678D+01 -0.164863D+01 -0.329180D+01 -0.106384D+00 -0.309026D+01
                36            37            38            39            40 
      1  -0.142538D+01  0.388993D+01 -0.220224D+01 -0.264341D+01  0.741700D+00
      2   0.128322D+02 -0.117773D+02 -0.390944D+01  0.711934D+01 -0.573532D+01
      3  -0.386325D+01 -0.836794D+01 -0.137165D+02  0.107590D+00 -0.775905D+01
                41            42            43            44            45 
      1   0.649275D+01 -0.711063D+01 -0.115061D+01 -0.256667D+01 -0.755596D+01
      2  -0.171560D+00  0.823340D+01  0.198040D+01  0.764489D+01  0.134701D+02
      3   0.158711D+02 -0.159393D-01  0.212254D+01 -0.422936D+00 -0.699407D+01
                46            47            48            49            50 
      1   0.851791D+00 -0.703563D+00 -0.391788D+00 -0.328978D+01 -0.167732D+01
      2   0.117631D-01 -0.160797D+01 -0.946557D+00 -0.111302D+01  0.585766D+00
      3  -0.699068D+01  0.502961D+01  0.622551D+00  0.136430D+02 -0.161032D-01
                51            52            53            54            55 
      1   0.184076D+01  0.934080D+00  0.102198D+02  0.219212D+01  0.117262D+01
      2   0.113508D+01 -0.130620D+02  0.828919D+00  0.186040D+00 -0.219713D+01
      3   0.323149D+00 -0.660230D+00  0.217352D+01 -0.103151D+01  0.121283D+01
                56            57            58            59            60 
      1   0.112627D+01  0.102643D+01  0.175932D+00  0.273802D+01  0.234199D+01
      2  -0.193865D+00 -0.265860D+01 -0.318824D+00 -0.314031D+01 -0.570971D+01
      3   0.114901D+01 -0.780335D+00  0.135154D+01  0.123052D+01  0.309070D+01
                61            62            63            64            65 
      1  -0.451425D+00  0.528698D+01  0.986440D+01 -0.215539D+01  0.144527D+01
      2  -0.252166D+01 -0.270820D+01 -0.187707D+02 -0.232334D+00  0.122404D+01
      3  -0.108215D+01  0.389027D+01  0.294106D+01 -0.738761D+01  0.576353D+01
                66            67            68            69            70 
      1   0.169443D+01  0.132167D+01 -0.564134D+01 -0.297662D+01  0.837044D+00
      2  -0.979654D+00  0.126973D+01 -0.242441D+01  0.190465D+01 -0.162262D+01
      3   0.402099D+00  0.791547D+01 -0.208396D+02  0.126556D+01  0.130657D+01
                71            72            73            74            75 
      1   0.348547D+00  0.254184D+00 -0.609148D+00 -0.829614D+00 -0.184787D+01
      2   0.144014D+01 -0.148995D+01  0.769469D+01  0.847524D+00  0.659358D+01
      3   0.662751D+00 -0.268288D+01  0.934468D+01 -0.474721D+01  0.437323D+00
                76            77            78            79            80 
      1  -0.776524D+00 -0.710965D+00 -0.363370D+00 -0.133257D+01  0.724576D+00
      2   0.120824D+01  0.721942D+00 -0.501415D+00  0.224718D+01 -0.448108D+00
      3  -0.898388D+00 -0.183292D+01 -0.285256D+00  0.162312D+00 -0.998763D+00
                81            82            83            84            85 
      1   0.127036D+00 -0.127934D+01 -0.610528D-01  0.321136D+01 -0.837400D+00
      2   0.567510D+00  0.257167D+01  0.123315D+00 -0.133326D+01  0.312102D+01
      3   0.170677D+01  0.627057D+01 -0.135183D+01  0.148792D+01  0.706348D+01
                86            87            88            89            90 
      1  -0.701091D-01 -0.299383D+01  0.515867D+01  0.257038D+01  0.158966D+00
      2   0.107689D+01  0.558714D+00 -0.121530D+02  0.160194D+00 -0.651432D+00
      3  -0.514815D+01  0.249637D+00  0.176912D+01 -0.457405D+00 -0.494623D+01
                91            92            93            94            95 
      1   0.127797D+01  0.614884D+00 -0.218406D+01  0.900430D+00  0.193228D+00
      2  -0.156920D+00  0.120989D+01  0.671340D-02  0.571892D+00 -0.289716D+01
      3  -0.332289D+01 -0.963933D+01 -0.198879D+01  0.586035D+01 -0.244932D+01
                96            97            98            99           100 
      1  -0.343010D+01 -0.512806D+01  0.183833D+01 -0.127032D+01  0.131928D+00
      2   0.693343D+01 -0.704667D+01  0.929617D+01  0.371723D+01 -0.362880D+00
      3   0.182093D+01  0.717424D-01  0.130651D+01 -0.488473D+01  0.751366D+00
               101           102           103           104           105 
      1  -0.751849D+00 -0.684524D+00 -0.120251D+01 -0.283809D+01  0.286834D+01
      2  -0.267769D+00  0.944618D+01 -0.332716D+01 -0.255615D+00 -0.565766D+00
      3  -0.780633D+01  0.390085D+00  0.109072D+02  0.355949D+01  0.204241D+01
               106           107           108           109           110 
      1  -0.954932D+00  0.108207D+02  0.231705D+01 -0.115683D+01 -0.237111D+00
      2   0.769046D+01  0.213730D+00  0.296616D+01 -0.602290D+00  0.235377D+01
      3   0.318895D+01  0.121708D+01  0.102233D+01 -0.224696D+01 -0.130021D+02
               111           112           113           114           115 
      1   0.324874D+01 -0.129054D+01  0.480874D+00 -0.287471D+01  0.625360D+01
      2   0.212714D+01 -0.748591D+00  0.307325D+01 -0.664181D+01 -0.530496D+01
      3  -0.222232D+01  0.492273D+01 -0.102490D+01 -0.232540D+01  0.199338D-01
               116           117           118           119           120 
      1   0.279705D+01  0.125847D+01  0.175564D+00  0.986518D+00 -0.287759D+01
      2  -0.941403D+01 -0.346355D+01  0.336711D+01  0.159346D+01 -0.155265D+01
      3  -0.432810D+01  0.371353D+01  0.316871D+00 -0.157566D+01 -0.204547D+01
               121           122           123           124           125 
      1   0.136819D+01 -0.640359D+00 -0.283800D+01 -0.519926D+01  0.222168D+01
      2   0.939515D+00 -0.131464D+01 -0.130889D+01 -0.127380D+02 -0.105525D+01
      3   0.145312D+01  0.705263D+01  0.250768D-01 -0.398485D+01 -0.286720D+00
               126           127           128           129           130 
      1  -0.106974D+01  0.432851D+00 -0.513381D+00  0.162848D+01  0.274649D+00
      2  -0.277589D+01  0.121698D+01 -0.433063D+00  0.270208D+00 -0.442727D+00
      3   0.533984D+01 -0.900777D+01  0.421133D+01  0.207235D-01  0.738364D+01
               131           132           133           134           135 
      1  -0.229941D-01 -0.338512D+01 -0.440812D+00  0.173814D+01  0.240197D+00
      2   0.992131D+00 -0.878794D+00 -0.162342D+01  0.424598D+00 -0.804011D-01
      3  -0.656002D+01 -0.850099D+00 -0.508040D+00 -0.123051D-02 -0.839069D-01
               136           137           138           139           140 
      1  -0.198402D+00 -0.180299D-01 -0.198227D+01 -0.169959D+00  0.423554D+00
      2   0.542998D+00  0.835861D+00  0.207305D+01  0.728367D+00  0.264740D+01
      3  -0.986065D+00 -0.321758D+01 -0.542209D+00 -0.198520D+01 -0.130845D+02
               141           142           143           144           145 
      1  -0.404873D+01  0.605604D+00  0.209578D+01 -0.467789D+00 -0.941964D-01
      2   0.339403D+01 -0.647219D+00 -0.125368D+00  0.591406D+00  0.183576D+01
      3  -0.223601D+01 -0.564826D+00 -0.260869D+01 -0.395710D+00  0.729779D-01
               146           147           148           149           150 
      1   0.433545D+00 -0.187911D+00  0.231733D+00 -0.246742D-01 -0.317981D+00
      2  -0.817482D-01  0.628092D+01  0.129446D+01  0.356020D+00  0.384769D+00
      3  -0.525651D+01  0.158361D+00 -0.386619D+01 -0.262009D+00 -0.432573D+00
               151           152           153           154           155 
      1   0.112652D+00  0.614468D+00  0.392014D-01  0.308857D+00 -0.696092D+00
      2  -0.290130D+01  0.467927D-01  0.464357D+00  0.323329D+00 -0.398367D+00
      3  -0.128500D+01 -0.613888D+00 -0.255880D+00  0.130979D+01 -0.454431D+01
               156           157           158           159           160 
      1   0.208095D+01  0.223036D+00  0.140117D+00 -0.365573D+01 -0.771345D+00
      2   0.230027D+01  0.467347D+00 -0.103207D+01 -0.315945D+01 -0.758034D+00
      3  -0.553889D-01 -0.295736D+01  0.120109D+02  0.107128D+01 -0.857861D+00
               161           162           163           164           165 
      1   0.165037D+01 -0.327830D+00  0.778920D+00  0.360038D+00 -0.171883D+01
      2   0.416210D+00 -0.385177D+00 -0.164123D+01 -0.109274D+01  0.243600D+00
      3   0.211789D+01  0.361599D+00  0.825199D+01  0.462013D+01  0.785833D+00
               166           167           168           169           170 
      1   0.481387D+00  0.908556D+00 -0.374995D+01  0.331965D+00  0.242208D+01
      2  -0.167143D+01 -0.162682D+01  0.492662D+00 -0.205947D+01 -0.688677D+00
      3   0.784593D+01  0.790133D+01  0.189341D+01  0.129872D+01  0.229903D+01
               171 
      1  -0.382095D+00
      2   0.839097D-01
      3   0.470463D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.194733D+02 -0.510907D+01  0.288973D+01 -0.613152D+01  0.255854D+01
      2  -0.756583D+01 -0.673904D+00 -0.112005D+01 -0.126071D+01  0.887115D+01
      3  -0.119075D+02  0.578297D+01 -0.176968D+01  0.739222D+01 -0.114297D+02
      4  -0.167278D+02  0.187149D+02 -0.555084D+01  0.219815D+02 -0.200886D+02
      5   0.510706D+01 -0.498735D+01  0.812332D+01 -0.818816D+01  0.111357D+02
      6  -0.300554D+01  0.201155D+01 -0.270078D+01  0.357570D+01 -0.863744D+01
                 6             7             8             9            10 
      1   0.453425D+00  0.284698D+01  0.192870D+01  0.161832D+01  0.101727D+02
      2  -0.274749D+01 -0.172859D+01 -0.444594D+01 -0.673702D+01 -0.362250D+01
      3   0.229406D+01 -0.111840D+01  0.251724D+01  0.511871D+01 -0.655025D+01
      4   0.111651D+02 -0.913487D+01  0.136172D+02  0.291167D+01 -0.604226D+01
      5   0.507500D+01  0.741399D+01  0.257965D+01  0.230827D+02  0.675650D+00
      6   0.406105D+01  0.593631D+00  0.103308D+01 -0.131028D+02  0.130750D+01
                11            12            13            14            15 
      1   0.235425D+01 -0.113910D+01  0.117626D+01 -0.833729D+01  0.413428D+01
      2   0.499334D+00  0.793546D+00  0.512636D+01  0.432899D+01 -0.246987D+00
      3  -0.285358D+01  0.345556D+00 -0.630262D+01  0.400830D+01 -0.388730D+01
      4  -0.165053D+02  0.388566D+01 -0.265971D+02  0.319319D+01 -0.185983D+01
      5   0.426478D+01 -0.123578D+02  0.941556D+01 -0.195723D+01 -0.185085D+02
      6   0.261176D+01 -0.288667D+01  0.160106D+01  0.494250D+01 -0.948782D+01
                16            17            18            19            20 
      1   0.134409D+02  0.421548D+01 -0.281055D+00  0.287089D+01 -0.319798D+01
      2   0.825146D+00  0.356666D+01  0.905622D+01 -0.134188D+01  0.118310D+01
      3  -0.142661D+02 -0.778214D+01 -0.877517D+01 -0.152900D+01  0.201488D+01
      4   0.108404D+02  0.444801D+01 -0.182447D+02 -0.373638D+01  0.191695D+01
      5  -0.218281D+02 -0.167434D+02 -0.224236D+02 -0.242788D+01  0.176266D+01
      6  -0.104555D+02 -0.506892D+01 -0.483027D+01  0.146498D+01 -0.152670D+00
                21            22            23            24            25 
      1  -0.255856D+01 -0.347987D+01 -0.289235D+01 -0.136893D+01 -0.454956D+01
      2   0.603772D+00  0.267967D+00  0.534565D+01  0.293957D+01  0.198377D+01
      3   0.195479D+01  0.321191D+01 -0.245330D+01 -0.157065D+01  0.256580D+01
      4   0.239373D+01  0.540860D+01 -0.995750D+01 -0.560583D+01  0.727914D+01
      5   0.222270D+01  0.259082D+01 -0.524943D+01 -0.738728D+01  0.679069D+01
      6  -0.579336D+00 -0.154205D+01  0.457309D+01  0.655363D+01 -0.362586D+01
                26            27            28            29            30 
      1  -0.937409D+00 -0.273187D+01  0.450339D+01  0.109890D+01  0.420656D+01
      2   0.319611D+01  0.185233D+01 -0.627344D+01 -0.112567D+01 -0.475759D+01
      3  -0.225870D+01  0.879545D+00  0.177005D+01  0.267687D-01  0.551028D+00
      4  -0.126409D+02 -0.103273D+02  0.449162D+01  0.628748D+01  0.237599D+01
      5  -0.997136D+01 -0.198682D+02  0.100400D+02  0.234325D+01  0.131218D+02
      6   0.797043D+01  0.124736D+02  0.280490D+01  0.307277D+00  0.200033D+01
                31            32            33            34            35 
      1   0.144380D+01 -0.227764D+01 -0.321399D+01  0.241924D+01 -0.289229D+01
      2  -0.268244D+01 -0.454093D+00 -0.652023D+00 -0.834865D+01 -0.237491D+01
      3   0.123863D+01  0.273174D+01  0.386602D+01  0.592942D+01  0.526720D+01
      4   0.937192D+01  0.607998D+01  0.696243D+01  0.347815D+01  0.675069D+01
      5   0.384139D+01  0.660262D+01  0.105531D+02  0.188370D+02  0.836252D+01
      6   0.266925D+01  0.483377D+01  0.924914D+01  0.517739D+01  0.664053D+01
                36            37            38            39            40 
      1  -0.106574D+02 -0.574135D+02 -0.159172D+02 -0.167836D+01 -0.738197D+01
      2  -0.147004D+02  0.241142D+02  0.148474D+02  0.418358D+01  0.671005D+01
      3   0.253577D+02  0.332993D+02  0.106980D+01 -0.250522D+01  0.671923D+00
      4   0.863023D+01 -0.175357D+02  0.122446D+02 -0.488534D+01  0.179796D+02
      5   0.333047D+02 -0.297435D+01 -0.236418D+01  0.110188D+02 -0.832807D+01
      6   0.110953D+02 -0.446101D+01 -0.618108D+01  0.429658D+01 -0.643504D+01
                41            42            43            44            45 
      1   0.210781D+02  0.221051D+01 -0.128607D+02 -0.369404D+00  0.133401D+02
      2  -0.226435D+02  0.653653D+01  0.620595D+01  0.390186D+01  0.838731D+01
      3   0.156539D+01 -0.874703D+01  0.665472D+01 -0.353245D+01 -0.217274D+02
      4  -0.721429D+01 -0.322170D+01 -0.155251D+02 -0.515773D+01  0.196775D+02
      5  -0.642540D+01  0.162310D+02  0.151432D+02  0.160637D+02  0.180156D+02
      6  -0.268603D+00  0.668672D+01  0.796887D+01  0.671117D+01 -0.119444D+01
                46            47            48            49            50 
      1  -0.197015D+02  0.112750D+00 -0.138186D+00  0.170448D+01 -0.795803D+01
      2   0.680605D+01 -0.634295D+00 -0.336385D+00 -0.232637D+01  0.137928D+02
      3   0.128954D+02  0.521546D+00  0.474571D+00  0.621891D+00 -0.583478D+01
      4   0.111088D+02  0.505094D+01  0.639853D+00 -0.116477D+02 -0.232105D+01
      5  -0.105538D+01  0.141020D+00  0.498994D+00 -0.360274D+01 -0.779202D+00
      6  -0.763873D+00  0.189926D+00 -0.879487D-01 -0.205228D+01  0.297457D+01
                51            52            53            54            55 
      1  -0.966849D-01 -0.693675D+01 -0.848792D+00 -0.968159D+01  0.399219D+01
      2   0.453112D+01  0.126338D+01  0.155099D+01 -0.354286D+01 -0.449960D+01
      3  -0.443443D+01  0.567336D+01 -0.702194D+00  0.132245D+02  0.507413D+00
      4  -0.133852D+01 -0.317599D+01 -0.198914D+01  0.275328D+01  0.266911D+00
      5   0.224183D+01  0.401280D+01  0.217930D+01  0.606303D+00 -0.287575D+01
      6  -0.355629D+01 -0.120378D+01  0.588216D+01 -0.264877D+01  0.180705D+00
                56            57            58            59            60 
      1   0.520525D+00 -0.654738D+01 -0.244956D+01 -0.499468D+01 -0.242855D+01
      2  -0.133540D+01  0.696405D+00  0.189969D+01  0.868113D+00 -0.581558D+01
      3   0.814878D+00  0.585097D+01  0.549872D+00  0.412657D+01  0.824413D+01
      4  -0.208740D+01 -0.687513D+00 -0.374019D+00 -0.384825D+01 -0.564828D+01
      5   0.880597D+00  0.273716D+00  0.404920D+01 -0.426903D+01 -0.102426D+02
      6   0.169132D+01 -0.107362D+01  0.343265D-01  0.210816D+01  0.366292D+01
                61            62            63            64            65 
      1  -0.564655D+01 -0.969587D+00 -0.170070D+02 -0.197203D+01  0.925288D+01
      2   0.434848D+01 -0.422502D+01 -0.179213D+02  0.489652D+01 -0.974648D+01
      3   0.129807D+01  0.519461D+01  0.349283D+02 -0.292449D+01  0.493594D+00
      4  -0.173921D+01 -0.736098D+01 -0.620036D+01  0.116379D+01 -0.229574D+01
      5   0.844242D+01 -0.355723D+01 -0.320022D+02  0.227091D+01 -0.449832D+00
      6   0.695350D+00  0.421854D+01 -0.719798D+01 -0.981182D-01  0.279556D+01
                66            67            68            69            70 
      1  -0.717521D+00  0.932890D+01 -0.250174D+02  0.220419D+01  0.184154D+01
      2  -0.354804D+00 -0.663092D+01  0.378887D+02 -0.143399D+01 -0.120562D+01
      3   0.107232D+01 -0.269798D+01 -0.128713D+02 -0.770202D+00 -0.635922D+00
      4   0.124307D+01  0.422873D+01  0.288835D+02 -0.253807D+01  0.218465D+01
      5  -0.215391D+01 -0.290355D+01 -0.279002D+00  0.387426D+01 -0.651439D-01
      6  -0.264222D+01  0.715458D+00 -0.100017D+02  0.631277D+01 -0.158600D+01
                71            72            73            74            75 
      1   0.182723D+01 -0.583529D+01  0.868224D+02  0.110180D+02  0.219671D+01
      2  -0.514927D+00  0.295760D+01 -0.414364D+02 -0.265429D+01  0.609308D+00
      3  -0.131231D+01  0.287769D+01 -0.453860D+02 -0.836370D+01 -0.280602D+01
      4  -0.448204D+00  0.149364D+01  0.321654D+02  0.156162D+02  0.446802D-01
      5   0.222034D+01 -0.201194D+01 -0.100366D+02 -0.180743D+01  0.109667D+02
      6   0.632037D+01 -0.114260D+01 -0.396455D+00 -0.151510D+01  0.349524D+01
                76            77            78            79            80 
      1   0.264993D+01  0.558185D+01  0.137035D+00  0.990163D+01  0.968876D+00
      2   0.137033D+01  0.237085D+00 -0.535973D+00 -0.381948D+01 -0.847690D-01
      3  -0.402026D+01 -0.581894D+01  0.398938D+00 -0.608215D+01 -0.884107D+00
      4   0.129551D+02  0.706980D+01  0.697770D+00  0.453397D+01  0.317844D+01
      5   0.482115D+00 -0.354941D-01 -0.877590D+00  0.100927D+02  0.220354D+00
      6  -0.795952D+00 -0.621089D+00  0.835517D+00  0.294765D+01  0.805453D+00
                81            82            83            84            85 
      1   0.621902D+01  0.532076D+01  0.165729D+02  0.534000D+01 -0.240724D+01
      2  -0.535213D+01 -0.605280D+01 -0.110488D+02 -0.133538D+01  0.114915D+02
      3  -0.866898D+00  0.732044D+00 -0.552414D+01 -0.400462D+01 -0.908424D+01
      4   0.112184D+01  0.802045D+01 -0.114119D+02  0.577400D+00  0.403557D+01
      5   0.429480D+00  0.224502D+01  0.396712D+00 -0.160816D+01  0.207088D+01
      6   0.680005D+00  0.331367D+01 -0.299789D+01 -0.647077D+01  0.502459D+01
                86            87            88            89            90 
      1   0.317993D+01  0.251171D+01 -0.241452D+00  0.468028D+01 -0.147286D+02
      2  -0.840900D+01 -0.244249D+01  0.282114D+01 -0.629925D+01  0.210382D+01
      3   0.522907D+01 -0.692201D-01 -0.257969D+01  0.161897D+01  0.126248D+02
      4   0.152386D+02  0.189968D+01  0.706576D+00 -0.169192D+01  0.363244D+01
      5   0.174811D+01  0.121368D+00  0.401955D+01  0.352078D+01 -0.203569D+01
      6  -0.352373D+01  0.716291D+01 -0.271932D+01  0.138563D+02 -0.558814D-01
                91            92            93            94            95 
      1   0.456516D+01 -0.227397D+02 -0.232087D+01  0.242231D+02  0.104945D+02
      2  -0.338405D+01  0.145408D+02  0.914793D+00 -0.238256D+02 -0.149684D+02
      3  -0.118111D+01  0.819890D+01  0.140608D+01 -0.397493D+00  0.447391D+01
      4  -0.132591D+02 -0.673198D+01 -0.530641D+01  0.749669D+01 -0.451560D+01
      5  -0.431062D+01 -0.493857D+01 -0.199963D+01 -0.111579D+01 -0.611051D+01
      6  -0.563479D+01 -0.229333D+01  0.515784D+01 -0.496285D+01 -0.943494D+01
                96            97            98            99           100 
      1   0.152400D+01  0.239498D+01 -0.321540D+01 -0.480711D+01 -0.128896D+02
      2  -0.610105D+01 -0.607472D+01 -0.470640D+01 -0.604775D+01  0.696261D+01
      3   0.457705D+01  0.367975D+01  0.792180D+01  0.108549D+02  0.592695D+01
      4  -0.595058D+01 -0.550684D+01 -0.979031D+01  0.135164D+02 -0.143559D+01
      5   0.142939D+02  0.139221D+02  0.142481D+02  0.750268D+01 -0.895397D+01
      6   0.628021D+01  0.532284D+01  0.140773D+02  0.338244D+01  0.388377D+00
               101           102           103           104           105 
      1  -0.702798D+00 -0.770569D+01  0.385328D+01 -0.219970D+02 -0.608866D+01
      2   0.561957D+00  0.383643D+01 -0.223812D+01  0.202154D+02  0.914319D+01
      3   0.140842D+00  0.386927D+01 -0.161516D+01  0.178164D+01 -0.305453D+01
      4   0.234614D+02  0.789184D-01 -0.216994D+02 -0.689773D+01 -0.363740D+01
      5  -0.756138D-02  0.204488D+02 -0.100351D+02 -0.266166D+01 -0.127247D+01
      6   0.639941D+00  0.144950D+01 -0.303657D+01  0.412496D+01 -0.572060D+01
               106           107           108           109           110 
      1  -0.867252D+01 -0.654664D+01  0.124239D+02  0.389082D+01  0.236975D+02
      2   0.285483D+01  0.505738D+01 -0.169444D+02 -0.566041D+01 -0.139900D+02
      3   0.581769D+01  0.148925D+01  0.452055D+01  0.176959D+01 -0.970742D+01
      4  -0.109462D+02  0.100777D+01 -0.898115D+00  0.197624D+02  0.173969D+01
      5   0.342436D+02  0.148788D+00  0.626303D+01  0.425131D+00  0.420760D+01
      6   0.131354D+00  0.625853D+01 -0.387785D+01  0.279536D+01 -0.251768D+01
               111           112           113           114           115 
      1   0.525377D+01 -0.238484D+02  0.688475D+01  0.194695D+01 -0.740708D+01
      2   0.460881D+00  0.247447D+02 -0.123115D+02 -0.188806D+01  0.833799D+01
      3  -0.571465D+01 -0.896360D+00  0.542677D+01 -0.588837D-01 -0.930915D+00
      4   0.477681D+01  0.611130D+01  0.129383D+02  0.850631D+01  0.232306D+01
      5   0.477526D+01 -0.262733D+01  0.770451D+01 -0.134350D+02  0.181468D+02
      6  -0.725422D+01  0.651190D+01 -0.591264D+01  0.689007D+01 -0.658707D+01
               116           117           118           119           120 
      1   0.650388D+01  0.690882D+00  0.640488D+01 -0.143162D+02  0.101307D-01
      2  -0.863267D+01 -0.744822D+01 -0.591005D+01  0.109524D+02 -0.168933D+01
      3   0.212879D+01  0.675734D+01 -0.494830D+00  0.336380D+01  0.167920D+01
      4   0.717395D+01 -0.136024D+02 -0.118685D+02 -0.180316D+02 -0.415617D+01
      5  -0.140459D+02 -0.717311D+01 -0.909311D-01 -0.394284D+01 -0.482750D+01
      6   0.131685D+02 -0.663281D+00 -0.338245D+01 -0.256584D+01  0.599294D+01
               121           122           123           124           125 
      1   0.260349D+01  0.799778D+01  0.458653D+01  0.192248D+01  0.155672D+01
      2  -0.973819D+01 -0.113470D+02 -0.634691D+01 -0.413823D+01 -0.715091D+01
      3   0.713470D+01  0.334924D+01  0.176038D+01  0.221574D+01  0.559420D+01
      4   0.115679D+02 -0.132342D+02 -0.165684D+01 -0.967247D-01 -0.412114D+01
      5   0.312137D+00 -0.167191D+01 -0.132121D+01  0.221634D+00 -0.501610D+01
      6  -0.498579D+01 -0.942983D+01  0.403499D+01  0.341660D+01  0.117516D+02
               126           127           128           129           130 
      1  -0.152283D+02 -0.445618D+01  0.794537D+01  0.244932D+00  0.875651D+01
      2   0.291342D-01  0.687669D+01 -0.110731D+02 -0.373280D+00 -0.119180D+02
      3   0.151992D+02 -0.242051D+01  0.312771D+01  0.128348D+00  0.316146D+01
      4  -0.624713D+01 -0.756719D+01  0.769286D+01  0.651346D+00  0.734137D+01
      5  -0.594443D+01 -0.460928D+00  0.836920D+00  0.962030D+00  0.896871D+00
      6   0.423869D+01 -0.510753D-01 -0.361483D-01 -0.196758D+01 -0.104743D+01
               131           132           133           134           135 
      1  -0.252109D+02 -0.200745D+01  0.619832D+00 -0.193540D+01 -0.877236D+00
      2   0.345047D+02  0.167201D+01 -0.104606D+01  0.256734D+01  0.168233D+01
      3  -0.929379D+01  0.335442D+00  0.426231D+00 -0.631942D+00 -0.805094D+00
      4  -0.720467D+01 -0.406450D+00  0.211730D+00 -0.113470D+00 -0.157969D+01
      5  -0.893298D+00 -0.949661D+00  0.573714D+00 -0.780858D+00 -0.741673D-01
      6   0.260536D+01  0.528200D+01 -0.744828D+00  0.192472D+01  0.293946D+00
               136           137           138           139           140 
      1   0.867954D+01  0.677276D+01  0.129483D+01  0.113449D+01 -0.991825D+01
      2   0.205468D+01  0.451942D+01  0.719649D-01  0.105739D+02  0.314081D+02
      3  -0.107342D+02 -0.112922D+02 -0.136679D+01 -0.117084D+02 -0.214898D+02
      4   0.226811D+02  0.260464D+02  0.532955D+01  0.273436D+02  0.474288D+02
      5   0.491520D+01  0.522520D+01  0.511402D+01  0.523730D+01  0.827009D+01
      6   0.360722D+01  0.414063D+01  0.328441D+01  0.509335D+01  0.106427D+02
               141           142           143           144           145 
      1  -0.199584D+01  0.107794D+01 -0.114828D+01 -0.906983D+00  0.100808D+03
      2   0.381137D+01  0.144212D+01  0.504865D+01  0.221311D+01 -0.578484D+02
      3  -0.181553D+01 -0.252006D+01 -0.390037D+01 -0.130613D+01 -0.429599D+02
      4   0.864025D+01  0.686880D+01  0.106359D+02  0.382712D+01  0.348828D+01
      5   0.593789D+01  0.244648D+01  0.309667D+01  0.226347D+01  0.126815D+02
      6   0.801331D+01  0.231873D+01  0.414926D+01  0.285911D+01 -0.195988D+01
               146           147           148           149           150 
      1   0.290269D+01  0.838664D+01  0.179159D+01  0.929180D+01  0.129482D+01
      2  -0.145926D+01 -0.577108D+01 -0.866893D+00 -0.454184D+01 -0.111442D+01
      3  -0.144343D+01 -0.261557D+01 -0.924699D+00 -0.474997D+01 -0.180400D+00
      4   0.840945D+01  0.105204D+00  0.146900D+02  0.106606D+01  0.141115D+01
      5   0.183694D+00  0.108216D+02  0.266501D+01  0.150884D+01  0.604505D+00
      6   0.589137D+00 -0.485525D-01  0.106439D+01 -0.846350D-01  0.148435D+01
               151           152           153           154           155 
      1   0.105029D+02  0.150879D+01  0.382913D+01  0.155135D+02 -0.104198D+02
      2  -0.615558D+01 -0.881325D+00 -0.232542D+01 -0.309702D+00 -0.360570D+01
      3  -0.434732D+01 -0.627461D+00 -0.150371D+01 -0.152038D+02  0.140255D+02
      4   0.279032D+01  0.115512D+01  0.507524D+00 -0.289952D+02  0.298564D+02
      5   0.314269D+01  0.302273D+00  0.199714D+01 -0.348438D+01  0.263909D+01
      6  -0.257189D-03  0.480625D+00  0.291510D+00  0.115521D+01 -0.916256D+00
               156           157           158           159           160 
      1  -0.134643D+01 -0.578279D+01 -0.146169D+01 -0.738192D-02  0.435979D+00
      2   0.312390D+00 -0.901140D+01  0.236253D+02  0.121204D+01 -0.157343D+01
      3   0.103405D+01  0.147942D+02 -0.221636D+02 -0.120466D+01  0.113746D+01
      4   0.248770D+01  0.325173D+02 -0.475766D+02 -0.552515D+01  0.346571D+01
      5   0.488752D+01  0.457477D+01 -0.612635D+01 -0.542431D+01  0.205117D+01
      6  -0.284464D+01 -0.289586D+01  0.466596D+01  0.608388D+01 -0.162378D+01
               161           162           163           164           165 
      1  -0.114475D+01 -0.413109D+00 -0.491431D+01 -0.778396D+01 -0.292229D+01
      2   0.322067D+01  0.157599D+01  0.635893D+01  0.921164D+01  0.188036D+01
      3  -0.207591D+01 -0.116289D+01 -0.144462D+01 -0.142768D+01  0.104192D+01
      4  -0.560734D+01 -0.305073D+01  0.556535D+01  0.742928D+01  0.128270D+01
      5  -0.202656D+01 -0.954699D+00  0.372017D+00  0.902567D+00  0.168960D+01
      6   0.250867D+01  0.141194D+01  0.273528D+01  0.419890D+01  0.287950D+01
               166           167           168           169           170 
      1  -0.821545D+01 -0.286038D+02 -0.732017D+01 -0.246430D+01 -0.670622D+01
      2   0.103760D+02  0.367930D+02  0.652757D+01  0.263312D+01  0.768224D+01
      3  -0.216055D+01 -0.818922D+01  0.792600D+00 -0.168821D+00 -0.976026D+00
      4   0.604237D+01  0.250676D+01  0.167644D+00  0.144248D+01  0.954018D+00
      5   0.664715D+00 -0.511384D+00  0.485727D+00  0.114585D+01  0.745437D+00
      6   0.352549D+01  0.117299D+02  0.814917D+01  0.152036D+01  0.471434D+01
               171 
      1  -0.295115D+01
      2   0.317633D+01
      3  -0.225178D+00
      4   0.207874D+01
      5   0.108459D+01
      6   0.327369D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102711D+03      0.152202D+02      0.169348D+02
   aniso      0.507036D+02      0.751350D+01      0.835990D+01
   xx         0.128753D+03      0.190793D+02      0.212285D+02
   yx         0.154640D+01      0.229152D+00      0.254966D+00
   yy         0.107403D+03      0.159154D+02      0.177083D+02
   zx         0.206168D+01      0.305510D+00      0.339926D+00
   zy         0.528632D+01      0.783352D+00      0.871597D+00
   zz         0.719779D+02      0.106660D+02      0.118676D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102711D+03      0.152202D+02      0.169348D+02
   aniso      0.507036D+02      0.751350D+01      0.835990D+01
   xx         0.126245D+03      0.187075D+02      0.208149D+02
   yx         0.635266D+01      0.941367D+00      0.104741D+01
   yy         0.101777D+03      0.150818D+02      0.167808D+02
   zx         0.103591D+02      0.153506D+01      0.170799D+01
   zy        -0.132881D+02     -0.196909D+01     -0.219091D+01
   zz         0.801119D+02      0.118714D+02      0.132087D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-29\Freq\RM11\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P M11
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 40885,-0.0970472,0.0013345,-0.0376328,-0.0962276,0.0553377,0.090544,0.
 0083845,0.0612774,-0.0883714,0.0136855,0.00846,-0.0187892,0.0486208,-0
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 .0239397,0.0489939,0.0977246,0.044838,0.0254014,0.0417874,-0.1201732,0
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 -0.00024047,0.00183640,0.00252577,0.00386705,0.00748848,-0.00541392,-0
 .03391811,0.53748514,0.00001794,0.00173322,0.00069768,0.02982492,0.040
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 Happiness is a conscious choice, not an automatic response.
 -- Mildred Barthel
 Job cpu time:       0 days  4 hours 32 minutes 51.8 seconds.
 Elapsed time:       0 days  0 hours 34 minutes 12.4 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:36:44 2021.
